data_2ezz_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 2ezz _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 ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.57 ' N ' ' HG ' ' A' ' 74' ' ' SER . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.447 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' SER . . . . . 0.541 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.541 ' N ' ' HG ' ' B' ' 74' ' ' SER . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 22' ' ' SER . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.511 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' B' ' 22' ' ' SER . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.408 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.152 0.501 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.1 0.476 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.967 0.413 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' NH1' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.001 0.429 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.459 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.411 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' ' 20' ' ' VAL . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.418 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.418 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 26' ' ' ILE . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.454 ' O ' ' OG1' ' A' ' 66' ' ' THR . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.561 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' N ' ' HG ' ' A' ' 74' ' ' SER . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 26' ' ' ILE . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.571 ' N ' ' HG ' ' B' ' 74' ' ' SER . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 26' ' ' ILE . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.462 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' CYS . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.472 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' B' ' 89' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' B' ' 85' ' ' CYS . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 26' ' ' ILE . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.401 HG22 HD11 ' B' ' 26' ' ' ILE . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.143 0.497 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HH11 ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.214 0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.41 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.504 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 94.5 mm-40 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.504 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.482 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 94.3 mm-40 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.482 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 66' ' ' THR . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' A' ' 66' ' ' THR . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 92.6 mm-40 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.472 ' NH2' ' O ' ' B' ' 66' ' ' THR . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 92.2 mm-40 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.931 0.396 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.93 0.395 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 20' ' ' VAL . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' B' ' 26' ' ' ILE . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.452 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 98.0 mm-40 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 89' ' ' LEU . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 85' ' ' CYS . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.444 ' O ' ' OG1' ' A' ' 66' ' ' THR . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.437 ' O ' ' OG1' ' B' ' 66' ' ' THR . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.509 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 26' ' ' ILE . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.646 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.646 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.883 0.373 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' B' ' 66' ' ' THR . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.63 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.63 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.527 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.438 ' O ' ' OG1' ' A' ' 66' ' ' THR . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.03 0.443 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.466 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.526 ' CZ ' ' O ' ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.444 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.526 ' O ' ' CZ ' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.085 0.469 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.036 0.446 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.418 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.986 0.422 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.953 0.406 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 26' ' ' ILE . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.404 HD11 HG22 ' B' ' 26' ' ' ILE . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' CG ' ' HZ3' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' HZ3' ' CG ' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.437 ' O ' ' OG1' ' A' ' 66' ' ' THR . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.476 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.476 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' CG ' ' H ' ' A' ' 71' ' ' ALA . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.435 ' H ' ' CG ' ' A' ' 70' ' ' ASN . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.406 HG21 HD11 ' B' ' 26' ' ' ILE . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.519 ' CG ' ' HZ3' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.457 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.457 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.435 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.435 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 22' ' ' SER . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.425 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' B' ' 22' ' ' SER . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.401 ' HZ1' ' CB ' ' B' ' 64' ' ' LYS . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.54 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.54 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.9 m 61.32 131.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.459 -0.775 . . . . 0.0 109.832 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -71.56 158.92 35.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.302 -0.874 . . . . 0.0 109.608 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -79.97 169.2 18.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -67.97 -19.53 64.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.649 -0.657 . . . . 0.0 109.642 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.97 -39.41 92.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.236 -0.915 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.57 ' N ' ' HG ' ' A' ' 74' ' ' SER . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' B' ' 1' ' ' MET . 4.7 m 61.33 131.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 0.0 109.841 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.47 158.94 35.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -80.13 169.15 18.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.357 -0.839 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.98 -19.44 64.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -61.86 -39.48 92.02 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.447 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . 0.541 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.541 ' N ' ' HG ' ' B' ' 74' ' ' SER . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.318 0.58 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -85.47 131.81 34.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.27 -0.894 . . . . 0.0 109.496 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -70.6 161.72 30.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 109.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -62.6 151.26 38.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -57.37 -22.89 45.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.672 -0.642 . . . . 0.0 110.132 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.59 -37.24 83.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.992 -1.067 . . . . 0.0 109.4 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 22' ' ' SER . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.533 ' SD ' ' N ' ' B' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.361 0.6 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.8 m -85.41 131.77 34.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.324 -0.86 . . . . 0.0 109.511 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -70.63 161.75 30.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.166 -0.958 . . . . 0.0 109.57 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.7 m -62.56 151.16 38.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.131 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -57.33 -22.73 44.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.629 -0.669 . . . . 0.0 110.104 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.57 -37.41 83.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.923 -1.111 . . . . 0.0 109.42 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.511 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' B' ' 22' ' ' SER . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.408 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -68.26 151.4 46.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 0.0 109.784 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -93.1 169.66 10.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.39 -0.818 . . . . 0.0 109.726 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -75.97 165.6 24.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.853 . . . . 0.0 109.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.76 -23.5 65.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.597 -0.689 . . . . 0.0 111.031 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -38.57 86.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 109.697 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.3 p -68.45 151.48 46.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.752 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 57.2 p -93.21 169.76 10.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.384 -0.822 . . . . 0.0 109.764 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -76.03 165.53 24.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 109.528 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.65 -23.64 64.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.631 -0.668 . . . . 0.0 111.056 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.05 -38.69 87.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.757 -1.215 . . . . 0.0 109.725 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.7 p -90.08 0.17 57.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 109.494 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -70.05 159.54 33.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 109.7 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 5' ' ' GLN . 29.6 t -76.59 162.87 27.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' N ' ' HG ' ' A' ' 4' ' ' SER . 3.2 mp0 -62.95 -20.78 65.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.696 -0.628 . . . . 0.0 110.328 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' NZ ' ' OG ' ' A' ' 4' ' ' SER . 29.0 mtmm -62.58 -39.06 92.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.059 -1.026 . . . . 0.0 110.177 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' NH1' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.8 p -89.9 0.12 57.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 109.552 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -69.99 159.6 33.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 0.0 109.718 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.588 ' HG ' ' N ' ' B' ' 5' ' ' GLN . 29.7 t -76.5 162.89 27.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 0.0 109.731 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.588 ' N ' ' HG ' ' B' ' 4' ' ' SER . 3.2 mp0 -63.08 -20.75 65.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.706 -0.622 . . . . 0.0 110.271 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' NZ ' ' OG ' ' B' ' 4' ' ' SER . 29.0 mtmm -62.57 -38.97 92.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.074 -1.016 . . . . 0.0 110.111 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.459 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.191 0.519 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.94 50.04 19.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.114 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -70.19 162.93 27.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 109.643 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -69.92 159.87 32.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.0 110.001 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.49 -22.15 64.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.93 -35.7 75.47 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.922 -1.111 . . . . 0.0 108.933 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.411 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.95 50.03 19.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.153 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -70.3 163.02 27.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 0.0 109.594 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 16.0 t -70.03 160.04 32.7 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.896 0.855 . . . . 0.0 109.889 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.6 -22.11 64.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.777 -0.577 . . . . 0.0 110.195 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.97 -35.58 75.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.066 . . . . 0.0 108.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' ' 20' ' ' VAL . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.418 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.418 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.267 0.556 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -77.86 163.5 26.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.521 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.46 159.94 27.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 p -70.04 160.24 32.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.382 -0.823 . . . . 0.0 109.309 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.56 -19.87 17.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.682 -0.636 . . . . 0.0 110.349 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.38 -37.21 86.71 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.07 -1.019 . . . . 0.0 109.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 26' ' ' ILE . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.454 ' O ' ' OG1' ' A' ' 66' ' ' THR . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.561 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' N ' ' HG ' ' A' ' 74' ' ' SER . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -77.97 163.42 25.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.0 109.57 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.24 160.01 28.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.257 -0.902 . . . . 0.0 109.668 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -70.14 160.26 32.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.345 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.62 -19.73 17.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 110.331 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.48 -37.11 86.4 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.024 -1.047 . . . . 0.0 109.125 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 26' ' ' ILE . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.571 ' N ' ' HG ' ' B' ' 74' ' ' SER . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.528 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 m -69.92 129.99 41.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.55 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -70.96 150.18 45.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.266 -0.896 . . . . 0.0 109.306 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m -79.6 163.94 24.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.4 -21.31 62.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.588 -0.695 . . . . 0.0 110.358 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.21 -38.04 89.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 26' ' ' ILE . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.462 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' CYS . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.161 0.505 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.2 m -69.93 129.92 40.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.295 -0.878 . . . . 0.0 109.548 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -70.96 150.29 45.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.859 . . . . 0.0 109.296 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -79.66 164.01 24.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 109.221 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.35 -21.45 62.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.593 -0.692 . . . . 0.0 110.387 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.17 -38.01 89.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.472 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' B' ' 89' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' B' ' 85' ' ' CYS . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -90.63 -0.01 57.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.35 -0.843 . . . . 0.0 109.185 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -70.62 163.45 26.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.406 -0.809 . . . . 0.0 109.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -70.0 159.56 33.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.903 . . . . 0.0 109.701 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.83 -19.15 63.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.785 -0.572 . . . . 0.0 110.175 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -35.09 78.24 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.924 -1.11 . . . . 0.0 109.305 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 26' ' ' ILE . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.442 ' H1 ' ' H ' ' B' ' 2' ' ' THR . 15.4 mmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.442 ' H ' ' H1 ' ' B' ' 1' ' ' MET . 70.0 p -90.57 0.04 57.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.407 -0.808 . . . . 0.0 109.197 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.1 p -70.69 163.52 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.807 . . . . 0.0 109.641 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.6 p -69.96 159.49 33.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 0.0 109.72 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.76 -19.17 63.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.837 -0.539 . . . . 0.0 110.159 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.44 -35.29 78.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.945 -1.097 . . . . 0.0 109.21 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.401 HG22 HD11 ' B' ' 26' ' ' ILE . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.65 172.76 10.82 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -69.97 150.65 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.087 -1.008 . . . . 0.0 109.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -79.29 167.38 21.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.37 -19.48 65.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.56 -0.713 . . . . 0.0 109.979 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.9 -39.68 90.24 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 109.957 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HH11 ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.66 172.76 10.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.403 -0.811 . . . . 0.0 108.882 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -70.01 150.63 46.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.969 -1.082 . . . . 0.0 109.085 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.0 t -79.21 167.41 21.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.51 -19.37 65.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.715 . . . . 0.0 109.995 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -39.74 90.74 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.009 -1.057 . . . . 0.0 109.902 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.148 0.499 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.3 p -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 109.7 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -102.39 147.75 26.33 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -77.94 169.68 17.87 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.234 -0.916 . . . . 0.0 109.196 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.81 -20.03 66.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.724 -0.61 . . . . 0.0 110.832 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.65 -39.22 93.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.934 -1.104 . . . . 0.0 109.158 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.504 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 94.5 mm-40 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.504 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.9 p -62.8 -40.93 98.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.73 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.57 147.7 26.46 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -0.837 . . . . 0.0 109.297 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.6 t -77.87 169.31 18.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.336 -0.853 . . . . 0.0 109.215 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -65.54 -20.02 66.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.596 -0.69 . . . . 0.0 110.865 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.63 -39.09 93.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.891 -1.131 . . . . 0.0 109.13 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.482 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 94.3 mm-40 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.482 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 m 50.02 49.9 19.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 0.0 109.685 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -75.18 165.76 24.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.183 -0.948 . . . . 0.0 110.013 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -70.71 157.92 37.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.673 0.749 . . . . 0.0 109.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.81 -21.45 63.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.687 -0.633 . . . . 0.0 109.991 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.95 -36.81 80.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.027 -1.046 . . . . 0.0 109.159 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 66' ' ' THR . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' A' ' 66' ' ' THR . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 92.6 mm-40 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m 49.98 49.99 19.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -75.35 165.55 24.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.914 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -70.5 157.62 37.53 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.691 0.758 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.54 -21.47 62.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.704 -0.623 . . . . 0.0 110.101 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.12 -36.55 80.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 109.158 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.472 ' NH2' ' O ' ' B' ' 66' ' ' THR . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 92.2 mm-40 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.107 0.48 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.2 p -75.6 152.09 37.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.944 -1.097 . . . . 0.0 109.433 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -76.02 160.58 29.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.863 . . . . 0.0 110.188 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -80.71 171.32 15.17 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.731 0.777 . . . . 0.0 109.434 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.82 -23.91 65.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.614 -0.679 . . . . 0.0 110.621 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.31 -38.39 89.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.066 . . . . 0.0 109.951 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.435 ' H1 ' ' H ' ' B' ' 2' ' ' THR . 14.1 mmt . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.435 ' H ' ' H1 ' ' B' ' 1' ' ' MET . 44.5 p -75.56 152.11 37.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -76.1 160.46 29.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 110.247 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -80.53 171.39 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.757 0.789 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.89 -23.89 65.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.587 -0.696 . . . . 0.0 110.691 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.22 -38.5 89.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.947 -1.096 . . . . 0.0 110.033 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 20' ' ' VAL . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' B' ' 26' ' ' ILE . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.452 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 98.0 mm-40 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 89' ' ' LEU . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 85' ' ' CYS . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.42 34.99 2.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.42 -0.8 . . . . 0.0 109.575 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.4 p -70.17 160.48 32.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 109.277 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.8 p -72.15 166.25 22.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.248 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.03 -27.69 67.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.725 -0.609 . . . . 0.0 110.433 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? -60.03 -37.65 80.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.041 -1.037 . . . . 0.0 109.382 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.444 ' O ' ' OG1' ' A' ' 66' ' ' THR . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.34 34.87 3.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.412 -0.805 . . . . 0.0 109.6 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -70.09 160.42 32.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.349 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.3 p -71.98 166.27 22.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.217 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.805 -0.559 . . . . 0.0 110.391 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? -59.99 -37.73 80.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 109.312 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.437 ' O ' ' OG1' ' B' ' 66' ' ' THR . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.1 m -74.29 146.83 42.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.442 -0.786 . . . . 0.0 109.108 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -68.86 167.46 15.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 109.674 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -60.0 159.98 8.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.217 -0.927 . . . . 0.0 109.041 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.1 -19.98 65.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.689 -0.632 . . . . 0.0 110.605 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.8 -39.51 94.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.923 -1.111 . . . . 0.0 110.22 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.509 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 26' ' ' ILE . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.646 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.646 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -74.15 146.81 43.19 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.423 -0.798 . . . . 0.0 109.105 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -68.85 167.5 15.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.604 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -60.0 159.99 8.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.244 -0.91 . . . . 0.0 109.071 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.09 -19.84 65.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.645 -0.659 . . . . 0.0 110.573 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.233 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' B' ' 66' ' ' THR . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.63 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.63 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -83.02 3.48 30.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.297 -0.877 . . . . 0.0 108.953 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -69.96 160.03 32.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.51 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -78.52 168.18 20.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.79 -23.38 67.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.739 -0.601 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.49 -38.1 88.58 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.825 -1.172 . . . . 0.0 109.709 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.438 ' O ' ' OG1' ' A' ' 66' ' ' THR . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -82.86 3.49 29.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.363 -0.836 . . . . 0.0 108.964 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -69.98 160.01 32.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.449 -0.782 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -78.54 168.17 20.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.76 -23.5 67.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.762 -0.586 . . . . 0.0 110.342 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.25 -38.26 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.889 -1.132 . . . . 0.0 109.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.466 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.526 ' CZ ' ' O ' ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.444 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.526 ' O ' ' CZ ' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -100.08 -20.88 15.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.283 -0.886 . . . . 0.0 109.658 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p -96.67 140.28 31.51 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.131 -0.981 . . . . 0.0 109.303 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.84 168.26 15.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.321 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.73 -18.71 64.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.641 -0.662 . . . . 0.0 109.646 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -60.03 -39.22 85.15 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.093 -1.004 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 22' ' ' SER . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -99.93 -20.95 15.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.299 -0.876 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -96.56 140.22 31.5 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.095 -1.003 . . . . 0.0 109.363 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.76 168.1 15.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.339 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.68 -18.59 64.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.664 . . . . 0.0 109.701 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -59.97 -39.73 86.66 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.199 -0.938 . . . . 0.0 109.984 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 22' ' ' SER . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.418 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -62.37 142.21 57.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.404 -0.81 . . . . 0.0 109.655 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.2 p -74.29 168.24 20.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.529 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.5 m -69.57 154.6 41.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.444 -0.785 . . . . 0.0 109.16 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.7 -19.84 62.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.76 -0.588 . . . . 0.0 110.29 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.92 -39.94 94.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.984 -1.073 . . . . 0.0 110.167 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -62.48 142.32 57.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -74.44 168.38 19.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.495 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -69.63 154.8 41.48 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.253 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.78 -19.77 62.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.803 -0.561 . . . . 0.0 110.419 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -64.97 -39.85 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 0.0 110.184 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.47 0.653 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.1 m -80.0 -71.05 0.47 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.488 -0.758 . . . . 0.0 109.959 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -82.38 149.99 27.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.155 -0.965 . . . . 0.0 109.397 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 m -78.91 169.45 18.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.143 -0.973 . . . . 0.0 109.018 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.92 -20.82 64.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.37 -39.91 92.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 26' ' ' ILE . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.457 0.646 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -80.02 -70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.367 -0.833 . . . . 0.0 109.915 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -82.45 150.27 27.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 25.9 m -79.08 169.53 18.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.072 -1.018 . . . . 0.0 109.056 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -62.09 -20.67 64.26 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.565 -0.709 . . . . 0.0 109.914 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.24 -40.08 92.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.154 -0.966 . . . . 0.0 109.632 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.404 HD11 HG22 ' B' ' 26' ' ' ILE . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.07 -46.01 0.43 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 108.918 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -81.68 146.12 30.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.615 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 5' ' ' GLN . 32.6 t -84.26 167.94 16.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.01 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' N ' ' HG ' ' A' ' 4' ' ' SER . 19.4 pt20 -60.47 -20.3 59.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.539 -0.725 . . . . 0.0 110.043 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.94 -39.11 88.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.0 109.211 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' CG ' ' HZ3' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' HZ3' ' CG ' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.437 ' O ' ' OG1' ' A' ' 66' ' ' THR . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.476 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.476 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' CG ' ' H ' ' A' ' 71' ' ' ALA . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.435 ' H ' ' CG ' ' A' ' 70' ' ' ASN . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.03 -46.02 0.43 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.283 -0.885 . . . . 0.0 108.967 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -81.71 146.2 30.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 109.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.546 ' HG ' ' N ' ' B' ' 5' ' ' GLN . 32.4 t -84.28 167.88 16.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.021 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.546 ' N ' ' HG ' ' B' ' 4' ' ' SER . 19.4 pt20 -60.46 -20.3 59.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.92 -39.17 88.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 109.243 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.406 HG21 HD11 ' B' ' 26' ' ' ILE . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.519 ' CG ' ' HZ3' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.457 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.457 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.435 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.435 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -81.05 163.87 22.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 p -75.67 163.57 27.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.28 -0.887 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.93 32.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 0.0 109.277 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.37 -19.23 65.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.562 -0.711 . . . . 0.0 109.944 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.71 -38.38 90.2 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.083 -1.011 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 22' ' ' SER . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.425 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.4 p -81.02 163.69 23.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 109.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 62.0 p -75.55 163.58 27.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.567 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.96 32.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.384 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.39 -19.21 65.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.519 -0.738 . . . . 0.0 109.93 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.65 -38.45 90.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.02 -1.05 . . . . 0.0 109.393 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' B' ' 22' ' ' SER . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.401 ' HZ1' ' CB ' ' B' ' 64' ' ' LYS . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.54 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.54 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.572 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.585 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 44' ' ' VAL . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 39' ' ' PHE . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.566 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.418 ' CD1' HG12 ' B' ' 44' ' ' VAL . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' B' ' 39' ' ' PHE . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.566 HD22 ' CE ' ' B' ' 15' ' ' MET . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 21' ' ' GLY . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.495 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.511 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 21' ' ' GLY . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.437 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.437 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' B' ' 15' ' ' MET . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.152 0.501 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG2' HH11 ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 15' ' ' MET . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 75' ' ' ARG . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.1 0.476 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' B' ' 11' ' ' VAL . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 7' ' ' HIS . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.464 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.401 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.448 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.448 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.508 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' B' ' 15' ' ' MET . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.967 0.413 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.686 ' HE3' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG2' HH11 ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.686 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 46' ' ' LEU . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.001 0.429 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.637 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.637 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.435 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 46' ' ' LEU . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.415 ' O ' ' OG1' ' A' ' 66' ' ' THR . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.508 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' B' ' 15' ' ' MET . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.488 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.488 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 HG23 ' A' ' 20' ' ' VAL . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 15' ' ' MET . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.587 HD13 ' SD ' ' B' ' 15' ' ' MET . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.452 HG23 HG21 ' B' ' 45' ' ' VAL . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.452 HG21 HG23 ' B' ' 20' ' ' VAL . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.577 HD22 ' HE1' ' B' ' 15' ' ' MET . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.491 HD13 ' SD ' ' A' ' 15' ' ' MET . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 7' ' ' HIS . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' HG12 ' A' ' 44' ' ' VAL . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 39' ' ' PHE . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' HE1' ' A' ' 15' ' ' MET . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' GLY . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.456 ' SG ' HD11 ' A' ' 46' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.449 ' O ' HG22 ' B' ' 11' ' ' VAL . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 7' ' ' HIS . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' B' ' 44' ' ' VAL . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' B' ' 39' ' ' PHE . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' B' ' 15' ' ' MET . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.431 ' O ' HG23 ' B' ' 51' ' ' VAL . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 47' ' ' GLY . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' B' ' 46' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' VAL . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 7' ' ' HIS . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.477 ' O ' HG22 ' B' ' 11' ' ' VAL . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 7' ' ' HIS . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.143 0.497 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 HG21 ' A' ' 45' ' ' VAL . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HG2' HH11 ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 HG23 ' A' ' 20' ' ' VAL . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 15' ' ' MET . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.214 0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 HG21 ' B' ' 45' ' ' VAL . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 HG23 ' B' ' 20' ' ' VAL . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.431 HD11 ' SG ' ' B' ' 85' ' ' CYS . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.583 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 81' ' ' LEU . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.583 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD22 ' CE ' ' A' ' 15' ' ' MET . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.53 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 29.4 mm100 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.53 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 23' ' ' LEU . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.579 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 81' ' ' LEU . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.576 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.579 HD22 ' CE ' ' B' ' 15' ' ' MET . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.512 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.576 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 29.4 mm100 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.512 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.475 HD21 HD22 ' B' ' 23' ' ' LEU . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 81' ' ' LEU . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.579 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 20.4 mm100 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 23' ' ' LEU . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.634 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.588 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.588 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.411 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.406 HD22 HD21 ' B' ' 81' ' ' LEU . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.568 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.634 HD22 ' CE ' ' B' ' 15' ' ' MET . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 20.2 mm100 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.406 HD21 HD22 ' B' ' 23' ' ' LEU . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.931 0.396 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.513 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.422 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.93 0.395 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.511 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.511 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 29.6 mm100 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.612 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.533 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 37' ' ' ARG . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.614 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 37' ' ' ARG . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.614 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.52 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 27' ' ' GLY . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE ' ' A' ' 15' ' ' MET . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 82' ' ' ARG . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.883 0.373 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.524 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.541 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.47 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.47 HD12 ' H ' ' B' ' 27' ' ' GLY . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.524 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.633 ' NH1' HG22 ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.633 HG22 ' NH1' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.03 0.443 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.489 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.626 ' NH1' HG22 ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.489 HD22 ' CE ' ' B' ' 15' ' ' MET . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.626 HG22 ' NH1' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.085 0.469 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.589 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE ' ' A' ' 15' ' ' MET . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.036 0.446 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.594 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.522 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.522 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE ' ' B' ' 15' ' ' MET . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.986 0.422 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.61 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.61 HD22 ' CE ' ' A' ' 15' ' ' MET . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.953 0.406 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.605 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.605 HD22 ' CE ' ' B' ' 15' ' ' MET . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.521 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 15' ' ' MET . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 27.6 mm100 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 82' ' ' ARG . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.544 ' HE3' HD22 ' B' ' 46' ' ' LEU . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD22 ' HE3' ' B' ' 15' ' ' MET . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 58' ' ' LEU . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' B' ' 82' ' ' ARG . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.564 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD22 ' CE ' ' A' ' 15' ' ' MET . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.551 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.53 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.551 HD22 ' CE ' ' B' ' 15' ' ' MET . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.405 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.568 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.603 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE ' ' A' ' 15' ' ' MET . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' B' ' 50' ' ' LEU . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.563 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 21' ' ' GLY . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.593 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.563 HD22 ' CE ' ' B' ' 15' ' ' MET . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 50' ' ' LEU . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.9 m 61.32 131.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.459 -0.775 . . . . 0.0 109.832 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -71.56 158.92 35.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.302 -0.874 . . . . 0.0 109.608 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -79.97 169.2 18.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -67.97 -19.53 64.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.649 -0.657 . . . . 0.0 109.642 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.97 -39.41 92.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.236 -0.915 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.572 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.585 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 44' ' ' VAL . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 39' ' ' PHE . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' B' ' 1' ' ' MET . 4.7 m 61.33 131.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 0.0 109.841 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.47 158.94 35.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -80.13 169.15 18.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.357 -0.839 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.98 -19.44 64.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -61.86 -39.48 92.02 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.566 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.418 ' CD1' HG12 ' B' ' 44' ' ' VAL . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' B' ' 39' ' ' PHE . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.566 HD22 ' CE ' ' B' ' 15' ' ' MET . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.514 ' SD ' ' N ' ' A' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.318 0.58 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -85.47 131.81 34.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.27 -0.894 . . . . 0.0 109.496 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -70.6 161.72 30.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 109.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -62.6 151.26 38.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -57.37 -22.89 45.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.672 -0.642 . . . . 0.0 110.132 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.59 -37.24 83.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.992 -1.067 . . . . 0.0 109.4 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 21' ' ' GLY . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' B' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.361 0.6 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.8 m -85.41 131.77 34.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.324 -0.86 . . . . 0.0 109.511 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -70.63 161.75 30.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.166 -0.958 . . . . 0.0 109.57 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.7 m -62.56 151.16 38.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.131 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -57.33 -22.73 44.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.629 -0.669 . . . . 0.0 110.104 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.57 -37.41 83.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.923 -1.111 . . . . 0.0 109.42 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.495 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.511 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 21' ' ' GLY . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.437 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.437 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' B' ' 15' ' ' MET . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -68.26 151.4 46.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 0.0 109.784 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -93.1 169.66 10.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.39 -0.818 . . . . 0.0 109.726 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -75.97 165.6 24.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.853 . . . . 0.0 109.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.76 -23.5 65.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.597 -0.689 . . . . 0.0 111.031 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -38.57 86.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 109.697 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HG2' HH11 ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 15' ' ' MET . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 75' ' ' ARG . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.3 p -68.45 151.48 46.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.752 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 57.2 p -93.21 169.76 10.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.384 -0.822 . . . . 0.0 109.764 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -76.03 165.53 24.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 109.528 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.65 -23.64 64.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.631 -0.668 . . . . 0.0 111.056 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.05 -38.69 87.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.757 -1.215 . . . . 0.0 109.725 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' B' ' 11' ' ' VAL . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 7' ' ' HIS . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.464 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.401 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.448 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.448 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.508 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' B' ' 15' ' ' MET . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.7 p -90.08 0.17 57.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 109.494 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -70.05 159.54 33.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 109.7 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.47 ' OG ' ' NZ ' ' A' ' 6' ' ' LYS . 29.6 t -76.59 162.87 27.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -62.95 -20.78 65.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.696 -0.628 . . . . 0.0 110.328 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' NZ ' ' OG ' ' A' ' 4' ' ' SER . 29.0 mtmm -62.58 -39.06 92.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.059 -1.026 . . . . 0.0 110.177 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.686 ' HE3' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG2' HH11 ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.686 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 46' ' ' LEU . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.8 p -89.9 0.12 57.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 109.552 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -69.99 159.6 33.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 0.0 109.718 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.46 ' OG ' ' NZ ' ' B' ' 6' ' ' LYS . 29.7 t -76.5 162.89 27.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 0.0 109.731 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -63.08 -20.75 65.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.706 -0.622 . . . . 0.0 110.271 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' NZ ' ' OG ' ' B' ' 4' ' ' SER . 29.0 mtmm -62.57 -38.97 92.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.074 -1.016 . . . . 0.0 110.111 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.637 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.637 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.435 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 46' ' ' LEU . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.191 0.519 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.94 50.04 19.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.114 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -70.19 162.93 27.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 109.643 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -69.92 159.87 32.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.0 110.001 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.49 -22.15 64.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.93 -35.7 75.47 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.922 -1.111 . . . . 0.0 108.933 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.415 ' O ' ' OG1' ' A' ' 66' ' ' THR . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.95 50.03 19.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.153 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -70.3 163.02 27.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 0.0 109.594 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 16.0 t -70.03 160.04 32.7 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.896 0.855 . . . . 0.0 109.889 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.6 -22.11 64.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.777 -0.577 . . . . 0.0 110.195 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.97 -35.58 75.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.066 . . . . 0.0 108.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.508 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' B' ' 15' ' ' MET . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.488 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.488 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.267 0.556 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -77.86 163.5 26.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.521 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.46 159.94 27.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 p -70.04 160.24 32.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.382 -0.823 . . . . 0.0 109.309 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.56 -19.87 17.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.682 -0.636 . . . . 0.0 110.349 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.38 -37.21 86.71 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.07 -1.019 . . . . 0.0 109.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 HG23 ' A' ' 20' ' ' VAL . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 15' ' ' MET . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.587 HD13 ' SD ' ' B' ' 15' ' ' MET . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -77.97 163.42 25.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.0 109.57 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.24 160.01 28.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.257 -0.902 . . . . 0.0 109.668 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -70.14 160.26 32.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.345 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.62 -19.73 17.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 110.331 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.48 -37.11 86.4 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.024 -1.047 . . . . 0.0 109.125 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.452 HG23 HG21 ' B' ' 45' ' ' VAL . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.452 HG21 HG23 ' B' ' 20' ' ' VAL . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD22 ' HE1' ' B' ' 15' ' ' MET . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.491 HD13 ' SD ' ' A' ' 15' ' ' MET . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.528 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 m -69.92 129.99 41.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.55 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -70.96 150.18 45.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.266 -0.896 . . . . 0.0 109.306 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m -79.6 163.94 24.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.4 -21.31 62.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.588 -0.695 . . . . 0.0 110.358 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.21 -38.04 89.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 7' ' ' HIS . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' HG12 ' A' ' 44' ' ' VAL . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 39' ' ' PHE . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' HE1' ' A' ' 15' ' ' MET . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' GLY . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.456 ' SG ' HD11 ' A' ' 46' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.161 0.505 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.2 m -69.93 129.92 40.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.295 -0.878 . . . . 0.0 109.548 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -70.96 150.29 45.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.859 . . . . 0.0 109.296 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -79.66 164.01 24.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 109.221 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.35 -21.45 62.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.593 -0.692 . . . . 0.0 110.387 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.17 -38.01 89.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.449 ' O ' HG22 ' B' ' 11' ' ' VAL . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 7' ' ' HIS . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' B' ' 44' ' ' VAL . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' B' ' 39' ' ' PHE . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' B' ' 15' ' ' MET . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.431 ' O ' HG23 ' B' ' 51' ' ' VAL . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 47' ' ' GLY . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' B' ' 46' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -90.63 -0.01 57.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.35 -0.843 . . . . 0.0 109.185 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -70.62 163.45 26.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.406 -0.809 . . . . 0.0 109.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -70.0 159.56 33.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.903 . . . . 0.0 109.701 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.83 -19.15 63.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.785 -0.572 . . . . 0.0 110.175 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -35.09 78.24 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.924 -1.11 . . . . 0.0 109.305 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' VAL . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 7' ' ' HIS . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -90.57 0.04 57.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.407 -0.808 . . . . 0.0 109.197 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.1 p -70.69 163.52 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.807 . . . . 0.0 109.641 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.6 p -69.96 159.49 33.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 0.0 109.72 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.76 -19.17 63.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.837 -0.539 . . . . 0.0 110.159 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.44 -35.29 78.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.945 -1.097 . . . . 0.0 109.21 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.477 ' O ' HG22 ' B' ' 11' ' ' VAL . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 7' ' ' HIS . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.65 172.76 10.82 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -69.97 150.65 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.087 -1.008 . . . . 0.0 109.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -79.29 167.38 21.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -64.37 -19.48 65.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.56 -0.713 . . . . 0.0 109.979 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.9 -39.68 90.24 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 109.957 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 HG21 ' A' ' 45' ' ' VAL . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HG2' HH11 ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 HG23 ' A' ' 20' ' ' VAL . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 15' ' ' MET . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.66 172.76 10.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.403 -0.811 . . . . 0.0 108.882 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -70.01 150.63 46.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.969 -1.082 . . . . 0.0 109.085 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.0 t -79.21 167.41 21.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -64.51 -19.37 65.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.715 . . . . 0.0 109.995 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -39.74 90.74 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.009 -1.057 . . . . 0.0 109.902 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 HG21 ' B' ' 45' ' ' VAL . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 HG23 ' B' ' 20' ' ' VAL . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.431 HD11 ' SG ' ' B' ' 85' ' ' CYS . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.148 0.499 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.3 p -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 109.7 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -102.39 147.75 26.33 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -77.94 169.68 17.87 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.234 -0.916 . . . . 0.0 109.196 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.81 -20.03 66.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.724 -0.61 . . . . 0.0 110.832 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.65 -39.22 93.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.934 -1.104 . . . . 0.0 109.158 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.583 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 81' ' ' LEU . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.583 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD22 ' CE ' ' A' ' 15' ' ' MET . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.53 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 29.4 mm100 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.53 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 23' ' ' LEU . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.9 p -62.8 -40.93 98.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.73 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.57 147.7 26.46 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -0.837 . . . . 0.0 109.297 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.6 t -77.87 169.31 18.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.336 -0.853 . . . . 0.0 109.215 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -65.54 -20.02 66.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.596 -0.69 . . . . 0.0 110.865 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.63 -39.09 93.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.891 -1.131 . . . . 0.0 109.13 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.579 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 81' ' ' LEU . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.576 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.579 HD22 ' CE ' ' B' ' 15' ' ' MET . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.512 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.576 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 29.4 mm100 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.512 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.475 HD21 HD22 ' B' ' 23' ' ' LEU . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 m 50.02 49.9 19.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 0.0 109.685 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -75.18 165.76 24.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.183 -0.948 . . . . 0.0 110.013 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -70.71 157.92 37.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.673 0.749 . . . . 0.0 109.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.81 -21.45 63.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.687 -0.633 . . . . 0.0 109.991 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.95 -36.81 80.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.027 -1.046 . . . . 0.0 109.159 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 81' ' ' LEU . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.579 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 20.4 mm100 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 23' ' ' LEU . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m 49.98 49.99 19.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -75.35 165.55 24.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.914 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -70.5 157.62 37.53 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.691 0.758 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.54 -21.47 62.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.704 -0.623 . . . . 0.0 110.101 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.12 -36.55 80.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 109.158 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.634 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.588 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.588 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.411 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.406 HD22 HD21 ' B' ' 81' ' ' LEU . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.568 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.634 HD22 ' CE ' ' B' ' 15' ' ' MET . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 20.2 mm100 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.406 HD21 HD22 ' B' ' 23' ' ' LEU . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.107 0.48 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.2 p -75.6 152.09 37.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.944 -1.097 . . . . 0.0 109.433 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -76.02 160.58 29.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.863 . . . . 0.0 110.188 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -80.71 171.32 15.17 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.731 0.777 . . . . 0.0 109.434 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.82 -23.91 65.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.614 -0.679 . . . . 0.0 110.621 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.31 -38.39 89.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.066 . . . . 0.0 109.951 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.513 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.422 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.5 p -75.56 152.11 37.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -76.1 160.46 29.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 110.247 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -80.53 171.39 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.757 0.789 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.89 -23.89 65.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.587 -0.696 . . . . 0.0 110.691 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.22 -38.5 89.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.947 -1.096 . . . . 0.0 110.033 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.511 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.511 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 29.6 mm100 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.42 34.99 2.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.42 -0.8 . . . . 0.0 109.575 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.4 p -70.17 160.48 32.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 109.277 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.8 p -72.15 166.25 22.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.248 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.03 -27.69 67.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.725 -0.609 . . . . 0.0 110.433 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? -60.03 -37.65 80.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.041 -1.037 . . . . 0.0 109.382 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.612 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.533 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 37' ' ' ARG . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.34 34.87 3.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.412 -0.805 . . . . 0.0 109.6 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -70.09 160.42 32.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.349 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.3 p -71.98 166.27 22.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.217 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.805 -0.559 . . . . 0.0 110.391 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? -59.99 -37.73 80.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 109.312 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.614 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 37' ' ' ARG . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.614 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.1 m -74.29 146.83 42.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.442 -0.786 . . . . 0.0 109.108 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -68.86 167.46 15.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 109.674 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -60.0 159.98 8.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.217 -0.927 . . . . 0.0 109.041 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.1 -19.98 65.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.689 -0.632 . . . . 0.0 110.605 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.8 -39.51 94.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.923 -1.111 . . . . 0.0 110.22 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.52 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 27' ' ' GLY . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE ' ' A' ' 15' ' ' MET . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 82' ' ' ARG . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -74.15 146.81 43.19 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.423 -0.798 . . . . 0.0 109.105 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -68.85 167.5 15.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.604 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -60.0 159.99 8.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.244 -0.91 . . . . 0.0 109.071 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.09 -19.84 65.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.645 -0.659 . . . . 0.0 110.573 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.233 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.524 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.541 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.47 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.47 HD12 ' H ' ' B' ' 27' ' ' GLY . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.524 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 2' ' ' THR . 1.5 t -83.02 3.48 30.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.297 -0.877 . . . . 0.0 108.953 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -69.96 160.03 32.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.51 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -78.52 168.18 20.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.79 -23.38 67.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.739 -0.601 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.49 -38.1 88.58 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.825 -1.172 . . . . 0.0 109.709 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' NH1' HG22 ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.633 HG22 ' NH1' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.448 ' H ' HG22 ' B' ' 2' ' ' THR . 1.5 t -82.86 3.49 29.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.363 -0.836 . . . . 0.0 108.964 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -69.98 160.01 32.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.449 -0.782 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -78.54 168.17 20.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.76 -23.5 67.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.762 -0.586 . . . . 0.0 110.342 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.25 -38.26 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.889 -1.132 . . . . 0.0 109.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.489 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.626 ' NH1' HG22 ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.489 HD22 ' CE ' ' B' ' 15' ' ' MET . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.626 HG22 ' NH1' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -100.08 -20.88 15.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.283 -0.886 . . . . 0.0 109.658 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p -96.67 140.28 31.51 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.131 -0.981 . . . . 0.0 109.303 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.84 168.26 15.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.321 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.73 -18.71 64.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.641 -0.662 . . . . 0.0 109.646 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -60.03 -39.22 85.15 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.093 -1.004 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.589 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE ' ' A' ' 15' ' ' MET . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -99.93 -20.95 15.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.299 -0.876 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -96.56 140.22 31.5 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.095 -1.003 . . . . 0.0 109.363 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.76 168.1 15.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.339 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.68 -18.59 64.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.664 . . . . 0.0 109.701 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -59.97 -39.73 86.66 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.199 -0.938 . . . . 0.0 109.984 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.594 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.522 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.522 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE ' ' B' ' 15' ' ' MET . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -62.37 142.21 57.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.404 -0.81 . . . . 0.0 109.655 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.2 p -74.29 168.24 20.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.529 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.5 m -69.57 154.6 41.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.444 -0.785 . . . . 0.0 109.16 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.7 -19.84 62.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.76 -0.588 . . . . 0.0 110.29 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.92 -39.94 94.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.984 -1.073 . . . . 0.0 110.167 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.61 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.61 HD22 ' CE ' ' A' ' 15' ' ' MET . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -62.48 142.32 57.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -74.44 168.38 19.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.495 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -69.63 154.8 41.48 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.253 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -61.78 -19.77 62.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.803 -0.561 . . . . 0.0 110.419 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -64.97 -39.85 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 0.0 110.184 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.605 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.605 HD22 ' CE ' ' B' ' 15' ' ' MET . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.47 0.653 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.1 m -80.0 -71.05 0.47 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.488 -0.758 . . . . 0.0 109.959 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -82.38 149.99 27.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.155 -0.965 . . . . 0.0 109.397 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 m -78.91 169.45 18.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.143 -0.973 . . . . 0.0 109.018 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.92 -20.82 64.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.37 -39.91 92.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.521 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 15' ' ' MET . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 27.6 mm100 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 82' ' ' ARG . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.457 0.646 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -80.02 -70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.367 -0.833 . . . . 0.0 109.915 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -82.45 150.27 27.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 25.9 m -79.08 169.53 18.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.072 -1.018 . . . . 0.0 109.056 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -62.09 -20.67 64.26 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.565 -0.709 . . . . 0.0 109.914 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.24 -40.08 92.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.154 -0.966 . . . . 0.0 109.632 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.544 ' HE3' HD22 ' B' ' 46' ' ' LEU . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD22 ' HE3' ' B' ' 15' ' ' MET . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 58' ' ' LEU . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' B' ' 82' ' ' ARG . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.07 -46.01 0.43 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 108.918 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -81.68 146.12 30.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.615 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.6 t -84.26 167.94 16.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.01 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -60.47 -20.3 59.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.539 -0.725 . . . . 0.0 110.043 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.94 -39.11 88.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.0 109.211 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.564 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD22 ' CE ' ' A' ' 15' ' ' MET . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.03 -46.02 0.43 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.283 -0.885 . . . . 0.0 108.967 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -81.71 146.2 30.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 109.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.4 t -84.28 167.88 16.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.021 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -60.46 -20.3 59.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.92 -39.17 88.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 109.243 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.551 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.53 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.551 HD22 ' CE ' ' B' ' 15' ' ' MET . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.405 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -81.05 163.87 22.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 p -75.67 163.57 27.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.28 -0.887 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.93 32.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 0.0 109.277 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.37 -19.23 65.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.562 -0.711 . . . . 0.0 109.944 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.71 -38.38 90.2 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.083 -1.011 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.568 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.603 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE ' ' A' ' 15' ' ' MET . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' B' ' 50' ' ' LEU . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.4 p -81.02 163.69 23.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 109.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 62.0 p -75.55 163.58 27.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.567 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.96 32.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.384 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.39 -19.21 65.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.519 -0.738 . . . . 0.0 109.93 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.65 -38.45 90.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.02 -1.05 . . . . 0.0 109.393 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.563 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 21' ' ' GLY . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.593 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.563 HD22 ' CE ' ' B' ' 15' ' ' MET . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 50' ' ' LEU . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.572 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.585 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 44' ' ' VAL . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 39' ' ' PHE . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.566 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.418 ' CD1' HG12 ' B' ' 44' ' ' VAL . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' B' ' 39' ' ' PHE . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.566 HD22 ' CE ' ' B' ' 15' ' ' MET . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 21' ' ' GLY . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.495 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.511 ' N ' ' CD ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 21' ' ' GLY . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.437 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.437 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' B' ' 15' ' ' MET . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.152 0.501 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 15' ' ' MET . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 75' ' ' ARG . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.1 0.476 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' B' ' 11' ' ' VAL . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 7' ' ' HIS . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.464 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.401 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.448 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.448 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.508 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' B' ' 15' ' ' MET . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.967 0.413 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.686 ' HE3' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.686 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 46' ' ' LEU . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.001 0.429 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.637 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.637 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.435 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 46' ' ' LEU . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.415 ' O ' ' OG1' ' A' ' 66' ' ' THR . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.508 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' B' ' 15' ' ' MET . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.488 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.488 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 HG23 ' A' ' 20' ' ' VAL . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 15' ' ' MET . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.587 HD13 ' SD ' ' B' ' 15' ' ' MET . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.452 HG23 HG21 ' B' ' 45' ' ' VAL . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.452 HG21 HG23 ' B' ' 20' ' ' VAL . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.577 HD22 ' HE1' ' B' ' 15' ' ' MET . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.491 HD13 ' SD ' ' A' ' 15' ' ' MET . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 7' ' ' HIS . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' HG12 ' A' ' 44' ' ' VAL . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 39' ' ' PHE . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' HE1' ' A' ' 15' ' ' MET . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' GLY . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.456 ' SG ' HD11 ' A' ' 46' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.449 ' O ' HG22 ' B' ' 11' ' ' VAL . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 7' ' ' HIS . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' B' ' 44' ' ' VAL . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' B' ' 39' ' ' PHE . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' B' ' 15' ' ' MET . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.431 ' O ' HG23 ' B' ' 51' ' ' VAL . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 47' ' ' GLY . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' B' ' 46' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' VAL . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 7' ' ' HIS . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.477 ' O ' HG22 ' B' ' 11' ' ' VAL . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 7' ' ' HIS . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 121.143 0.497 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 HG21 ' A' ' 45' ' ' VAL . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.516 HH11 ' HG2' ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 HG23 ' A' ' 20' ' ' VAL . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 15' ' ' MET . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.214 0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 HG21 ' B' ' 45' ' ' VAL . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 HG23 ' B' ' 20' ' ' VAL . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.431 HD11 ' SG ' ' B' ' 85' ' ' CYS . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.583 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 81' ' ' LEU . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD22 ' CE ' ' A' ' 15' ' ' MET . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.53 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 94.5 mm-40 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.53 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 23' ' ' LEU . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.579 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 81' ' ' LEU . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.579 HD22 ' CE ' ' B' ' 15' ' ' MET . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.512 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 94.3 mm-40 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.512 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.475 HD21 HD22 ' B' ' 23' ' ' LEU . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 81' ' ' LEU . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 37' ' ' ARG . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 92.6 mm-40 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 23' ' ' LEU . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.634 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.588 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.588 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.411 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.406 HD22 HD21 ' B' ' 81' ' ' LEU . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.634 HD22 ' CE ' ' B' ' 15' ' ' MET . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 92.2 mm-40 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.406 HD21 HD22 ' B' ' 23' ' ' LEU . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.931 0.396 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.513 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.422 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.93 0.395 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.511 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.511 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 98.0 mm-40 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.612 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.533 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 37' ' ' ARG . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.614 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 37' ' ' ARG . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.614 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.907 0.384 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.52 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 27' ' ' GLY . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE ' ' A' ' 15' ' ' MET . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 82' ' ' ARG . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.883 0.373 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.524 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.541 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.47 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.47 HD12 ' H ' ' B' ' 27' ' ' GLY . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.524 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.633 ' NH1' HG22 ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.633 HG22 ' NH1' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.03 0.443 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.489 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.626 ' NH1' HG22 ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.489 HD22 ' CE ' ' B' ' 15' ' ' MET . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.626 HG22 ' NH1' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.085 0.469 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.589 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE ' ' A' ' 15' ' ' MET . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.036 0.446 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.594 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.522 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.522 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE ' ' B' ' 15' ' ' MET . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.986 0.422 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.61 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.61 HD22 ' CE ' ' A' ' 15' ' ' MET . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.953 0.406 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.605 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.605 HD22 ' CE ' ' B' ' 15' ' ' MET . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.521 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 15' ' ' MET . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 82' ' ' ARG . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.544 ' HE3' HD22 ' B' ' 46' ' ' LEU . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD22 ' HE3' ' B' ' 15' ' ' MET . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 58' ' ' LEU . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' B' ' 82' ' ' ARG . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.564 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD22 ' CE ' ' A' ' 15' ' ' MET . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.551 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.53 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.551 HD22 ' CE ' ' B' ' 15' ' ' MET . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.405 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.568 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.603 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE ' ' A' ' 15' ' ' MET . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' B' ' 50' ' ' LEU . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.563 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 21' ' ' GLY . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.593 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.563 HD22 ' CE ' ' B' ' 15' ' ' MET . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 50' ' ' LEU . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.9 m 61.32 131.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.459 -0.775 . . . . 0.0 109.832 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.3 p -71.56 158.92 35.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.302 -0.874 . . . . 0.0 109.608 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -79.97 169.2 18.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -67.97 -19.53 64.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.649 -0.657 . . . . 0.0 109.642 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.97 -39.41 92.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.236 -0.915 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 62.1 t60 -57.32 -50.01 74.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 0.0 110.303 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 56.8 mtp180 -69.95 -31.87 69.83 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.013 -1.054 . . . . 0.0 110.349 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.89 75.47 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -67.74 -45.52 74.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.32 -0.863 . . . . 0.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.28 10.21 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.027 -1.046 . . . . 0.0 110.36 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -107.54 -10.95 15.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.58 154.62 28.49 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.942 -1.098 . . . . 0.0 109.338 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.08 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.928 1.752 . . . . 0.0 111.888 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.572 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.3 ptp -93.18 -25.23 17.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.128 -0.982 . . . . 0.0 110.642 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 -137.4 43.53 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.26 32.57 4.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.547 -0.973 . . . . 0.0 110.191 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -58.26 149.77 56.69 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.006 -1.059 . . . . 0.0 108.307 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.39 155.98 65.78 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.302 2.001 . . . . 0.0 112.328 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.1 p -54.62 -49.09 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.798 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.585 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.73 -2.8 0.55 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.1 t -82.06 -21.83 36.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.376 . . . . 0.0 109.144 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 139.79 58.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.674 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 136.4 57.24 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.63 0.729 . . . . 0.0 109.875 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -16.7 58.1 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.4 mm -101.32 119.44 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.154 -1.204 . . . . 0.0 108.377 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 174.68 39.18 Favored Glycine 0 N--CA 1.496 2.66 0 O-C-N 120.718 -1.239 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.97 -39.96 79.46 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.503 -0.998 . . . . 0.0 110.699 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.26 -43.6 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.926 -1.108 . . . . 0.0 109.434 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.99 -36.67 80.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.86 -36.85 74.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.55 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.604 -0.939 . . . . 0.0 110.343 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.95 -47.07 72.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.824 -1.172 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.19 -39.06 85.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 108.261 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.13 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -69.08 -19.28 64.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 108.777 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.73 -1.04 57.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.33 2.99 44.52 Favored Glycine 0 N--CA 1.505 3.255 0 O-C-N 121.194 -0.941 . . . . 0.0 112.243 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 44' ' ' VAL . 97.4 m-85 -104.24 77.4 1.41 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.7 -1.471 . . . . 0.0 109.191 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -80.45 -11.51 59.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.435 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.76 157.17 47.52 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.074 -1.016 . . . . 0.0 110.062 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.45 94.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.677 -0.64 . . . . 0.0 112.547 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 8.9 p90 -60.56 -19.27 56.92 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.392 -1.443 . . . . 0.0 111.126 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 39' ' ' PHE . 43.0 t -77.32 -33.31 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.524 -1.36 . . . . 0.0 107.361 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.59 -35.1 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.0 tp -60.03 -38.4 82.61 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.02 -42.8 95.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.943 -1.327 . . . . 0.0 108.838 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.62 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.35 -39.45 78.12 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.242 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.82 -25.89 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.129 -0.982 . . . . 0.0 110.469 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.68 15.41 11.08 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.102 -0.998 . . . . 0.0 110.423 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 48.46 37.43 8.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.895 -1.128 . . . . 0.0 110.39 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp 59.97 20.15 9.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.665 -0.647 . . . . 0.0 111.259 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.13 116.59 8.91 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.423 -1.423 . . . . 0.0 108.842 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.03 -40.97 87.32 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.353 -0.842 . . . . 0.0 113.085 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.0 m-20 -67.89 -39.94 83.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.209 -1.557 . . . . 0.0 109.659 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.49 -39.86 73.93 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.434 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.2 -47.58 81.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.281 -0.887 . . . . 0.0 110.15 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.2 mtm180 -60.3 -45.67 92.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 111.295 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.93 -37.03 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.734 -1.229 . . . . 0.0 108.991 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.96 -50.0 75.16 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.915 . . . . 0.0 111.418 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.19 -50.02 57.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.03 . . . . 0.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.21 -47.51 84.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.178 -0.951 . . . . 0.0 110.362 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.43 -28.54 67.16 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.403 -0.811 . . . . 0.0 109.758 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.6 m -79.96 -35.2 37.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.779 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.49 -26.57 2.04 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.465 -1.397 . . . . 0.0 112.153 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.01 14.59 18.53 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.38 154.55 3.32 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.992 -1.299 . . . . 0.0 109.702 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -88.61 167.59 13.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 109.531 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.15 -29.94 68.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.462 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -71.65 -40.04 69.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.865 -1.147 . . . . 0.0 109.508 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.86 -36.73 82.98 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.554 -0.716 . . . . 0.0 110.548 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 p -68.26 -37.27 80.57 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.222 -0.924 . . . . 0.0 110.008 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.15 -38.42 83.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.913 -1.117 . . . . 0.0 109.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.58 -39.83 80.8 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.628 -1.295 . . . . 0.0 110.705 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.36 -40.06 77.7 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.855 -1.153 . . . . 0.0 110.127 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.02 -59.22 5.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.591 -1.318 . . . . 0.0 109.403 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.26 -33.59 87.65 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.22 -48.74 64.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.789 -1.418 . . . . 0.0 109.673 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.97 -39.8 75.78 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.079 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.64 -40.02 90.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.963 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 96.4 mt-10 -69.99 -38.28 75.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.932 . . . . 0.0 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -61.06 -43.63 98.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LEU . 87.5 m -60.99 -40.01 91.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 109.748 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.53 -31.75 68.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.52 -33.62 13.7 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.086 -1.009 . . . . 0.0 111.094 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.7 m-85 -110.91 -2.56 15.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.269 -0.895 . . . . 0.0 112.277 -177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' CYS . 59.0 tp . . . . . 0 N--CA 1.502 2.16 0 O-C-N 120.434 -1.416 . . . . 0.0 109.192 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 2' ' ' THR . 2.5 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.427 ' O ' ' O ' ' B' ' 1' ' ' MET . 4.7 m 61.33 131.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 0.0 109.841 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.47 158.94 35.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -80.13 169.15 18.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.357 -0.839 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.98 -19.44 64.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -61.86 -39.48 92.02 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.414 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 62.7 t60 -57.3 -50.06 74.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.131 -0.98 . . . . 0.0 110.344 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 57.0 mtp180 -69.98 -31.84 69.75 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 0.0 110.321 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.98 -39.99 75.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.282 -0.886 . . . . 0.0 109.991 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.75 -45.59 74.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 110.711 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -84.19 10.1 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.058 -1.026 . . . . 0.0 110.372 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -107.42 -10.99 15.61 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.364 -0.835 . . . . 0.0 110.329 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -155.61 154.61 28.42 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.02 -1.05 . . . . 0.0 109.295 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.99 159.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.953 1.769 . . . . 0.0 111.939 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.566 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -93.08 -25.35 17.95 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.131 -0.98 . . . . 0.0 110.697 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.96 -137.4 44.11 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.37 32.57 4.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.535 -0.98 . . . . 0.0 110.092 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.23 149.69 56.7 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.976 -1.078 . . . . 0.0 108.351 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.37 156.0 65.66 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.151 1.9 . . . . 0.0 112.377 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.2 p -54.74 -48.93 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.612 -0.68 . . . . 0.0 110.674 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.84 -2.97 0.6 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' B' ' 20' ' ' VAL . 10.8 t -81.89 -21.83 37.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.86 -1.376 . . . . 0.0 109.121 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.55 139.65 58.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.701 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.02 136.41 57.29 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.828 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.1 -16.84 57.88 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -101.34 119.42 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.178 -1.189 . . . . 0.0 108.402 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.93 174.69 39.33 Favored Glycine 0 N--CA 1.494 2.536 0 O-C-N 120.769 -1.207 . . . . 0.0 110.116 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -57.94 -40.0 79.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -1.023 . . . . 0.0 110.701 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.16 -43.69 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.877 -1.139 . . . . 0.0 109.464 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.01 -36.65 80.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.553 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.74 75.01 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -65.62 -38.61 89.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.552 -0.969 . . . . 0.0 110.407 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.27 -46.9 72.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.82 -1.175 . . . . 0.0 109.805 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.13 -39.2 85.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 108.257 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -41.5 92.19 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.139 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.02 -19.17 64.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.273 -0.892 . . . . 0.0 108.876 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.76 -1.2 57.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 109.715 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 2.92 43.86 Favored Glycine 0 N--CA 1.505 3.278 0 O-C-N 121.184 -0.947 . . . . 0.0 112.116 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.418 ' CD1' HG12 ' B' ' 44' ' ' VAL . 96.7 m-85 -104.04 77.31 1.42 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.79 -1.418 . . . . 0.0 109.239 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -80.29 -11.69 59.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.543 -0.723 . . . . 0.0 110.443 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -135.71 157.05 47.81 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.051 -1.031 . . . . 0.0 110.121 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.39 94.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.567 -0.708 . . . . 0.0 112.566 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 8.5 p90 -60.6 -19.28 57.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.457 -1.402 . . . . 0.0 111.015 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' B' ' 39' ' ' PHE . 42.9 t -77.28 -33.44 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.493 -1.379 . . . . 0.0 107.369 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.44 -35.21 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.566 HD22 ' CE ' ' B' ' 15' ' ' MET . 26.1 tp -59.99 -38.36 82.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.82 98.57 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.08 -42.92 95.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.352 . . . . 0.0 108.833 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -59.99 -39.98 87.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 108.745 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.989 -0.684 . . . . 0.0 109.289 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.99 -26.08 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.109 -0.994 . . . . 0.0 110.45 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.37 15.24 10.95 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.074 -1.017 . . . . 0.0 110.389 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 48.65 37.2 8.96 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.927 -1.108 . . . . 0.0 110.366 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp 60.01 20.39 9.51 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.71 . . . . 0.0 111.387 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -68.36 116.56 9.07 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.505 -1.372 . . . . 0.0 108.739 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.1 -40.8 86.98 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.269 -0.894 . . . . 0.0 113.103 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.511 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.2 m-20 -67.96 -39.99 83.3 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.255 -1.528 . . . . 0.0 109.608 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.46 -39.93 73.99 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.451 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.2 -47.51 82.26 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.353 -0.842 . . . . 0.0 110.091 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.4 mtm180 -60.43 -45.35 93.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.251 -0.906 . . . . 0.0 111.305 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.14 -37.04 85.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.736 -1.227 . . . . 0.0 108.933 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.92 -50.0 75.18 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.306 -0.871 . . . . 0.0 111.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.14 -49.91 57.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 110.747 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.47 -47.21 85.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.231 -0.918 . . . . 0.0 110.322 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.7 -28.38 66.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.788 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.1 m -80.06 -35.25 37.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 111.758 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 p -131.42 -26.37 2.07 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.502 -1.374 . . . . 0.0 112.287 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.93 14.44 19.08 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 154.46 3.21 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.934 -1.333 . . . . 0.0 109.78 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -88.5 167.71 13.21 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.096 -1.003 . . . . 0.0 109.533 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.99 69.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.848 . . . . 0.0 110.501 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.868 -1.145 . . . . 0.0 109.436 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.87 -36.82 83.18 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.517 -0.739 . . . . 0.0 110.481 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -68.19 -37.44 80.92 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.147 -0.97 . . . . 0.0 110.027 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.04 -38.54 83.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.923 -1.111 . . . . 0.0 109.798 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -68.49 -39.8 81.17 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.698 -1.251 . . . . 0.0 110.645 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -69.44 -40.06 77.43 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.868 -1.145 . . . . 0.0 110.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.97 -59.26 5.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.606 -1.309 . . . . 0.0 109.387 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.28 -33.57 87.6 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.23 -48.77 64.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.364 . . . . 0.0 109.61 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.96 -39.75 75.81 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.125 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.68 -40.0 90.53 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.248 -0.907 . . . . 0.0 109.986 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.414 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.5 mt-10 -70.01 -38.21 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.6 t90 -61.13 -43.62 98.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.408 -1.433 . . . . 0.0 108.694 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' B' ' 89' ' ' LEU . 87.1 m -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 0.0 109.723 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.49 -31.83 68.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.41 -33.62 13.77 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.079 -1.013 . . . . 0.0 111.096 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.0 -2.33 15.98 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.225 -0.922 . . . . 0.0 112.344 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 85' ' ' CYS . 58.8 tp . . . . . 0 N--CA 1.5 2.062 0 O-C-N 120.381 -1.45 . . . . 0.0 109.108 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.514 ' SD ' ' N ' ' A' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.318 0.58 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -85.47 131.81 34.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.27 -0.894 . . . . 0.0 109.496 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -70.6 161.72 30.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 109.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -62.6 151.26 38.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -57.37 -22.89 45.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.672 -0.642 . . . . 0.0 110.132 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.59 -37.24 83.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.992 -1.067 . . . . 0.0 109.4 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 64.1 t60 -57.37 -49.16 77.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 110.098 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.99 -32.68 71.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.061 -1.025 . . . . 0.0 110.166 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.54 -38.56 71.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 110.483 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -66.96 -41.66 86.52 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.055 -1.028 . . . . 0.0 110.184 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.17 15.6 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.994 -1.066 . . . . 0.0 109.464 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -8.8 11.88 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.52 -0.738 . . . . 0.0 110.803 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.48 152.76 26.76 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.686 -1.259 . . . . 0.0 109.837 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -40.45 160.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 122.022 1.815 . . . . 0.0 111.627 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -88.44 -14.71 37.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.873 -1.142 . . . . 0.0 109.482 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.7 -144.02 2.55 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.23 27.35 8.34 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.455 -1.026 . . . . 0.0 110.192 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -61.54 149.93 82.53 Favored Pre-proline 0 N--CA 1.487 1.401 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.34 158.22 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.158 1.906 . . . . 0.0 112.733 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 21' ' ' GLY . 10.6 p -53.8 -45.2 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.421 0.629 . . . . 0.0 110.525 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -52.93 -4.07 0.15 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' VAL . 11.5 p -81.95 -24.26 35.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.72 -1.459 . . . . 0.0 108.823 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.51 137.85 58.35 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.673 0.749 . . . . 0.0 109.551 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.17 55.55 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.838 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.93 -19.87 51.43 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.89 117.29 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.215 -1.168 . . . . 0.0 108.153 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.4 176.53 38.59 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.69 -40.06 78.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.466 -1.02 . . . . 0.0 110.761 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.04 -42.92 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.797 -1.19 . . . . 0.0 109.225 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.0 mt -66.23 -36.3 82.67 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.409 -0.807 . . . . 0.0 109.617 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.42 -39.68 94.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.455 -1.026 . . . . 0.0 110.445 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -66.32 -49.53 66.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.757 -1.214 . . . . 0.0 109.524 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.18 -39.91 91.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.185 -0.947 . . . . 0.0 109.179 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -60.01 -41.81 92.96 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.476 -0.889 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.1 -22.44 65.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.467 -0.77 . . . . 0.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.99 0.21 57.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.378 -0.826 . . . . 0.0 110.285 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.03 37.24 3.19 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 120.998 -1.064 . . . . 0.0 111.446 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.82 72.79 1.48 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.015 -1.285 . . . . 0.0 108.621 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -80.89 -13.02 59.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 110.56 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.14 153.54 49.28 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.131 -0.98 . . . . 0.0 109.543 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.89 94.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 111.471 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -58.51 -19.19 35.29 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.616 -1.302 . . . . 0.0 111.113 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.4 t -78.59 -32.75 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.459 -1.401 . . . . 0.0 108.054 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.55 -37.25 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 60.5 tp -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.72 -43.13 86.61 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.05 -44.91 94.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -1.163 . . . . 0.0 108.745 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.97 -40.04 87.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.42 -39.14 81.68 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.96 -31.55 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 110.299 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.72 13.36 10.67 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.024 -1.047 . . . . 0.0 110.039 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ASP . 98.9 mttt 48.56 50.34 17.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.856 -1.153 . . . . 0.0 110.337 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 pttt 41.65 21.13 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.675 -1.266 . . . . 0.0 111.243 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' LYS . 69.3 m-20 -65.33 112.19 3.38 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.48 -41.73 96.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.232 -0.917 . . . . 0.0 113.103 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.99 -40.04 79.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.474 -1.391 . . . . 0.0 110.03 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.291 -1.948 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.243 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -61.59 -48.81 79.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.88 . . . . 0.0 109.861 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.01 -44.8 94.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.69 -1.256 . . . . 0.0 108.634 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -60.2 -50.09 75.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 111.293 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.35 -45.97 71.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.029 -1.044 . . . . 0.0 110.349 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.2 t0 -69.13 -30.22 68.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.439 -0.788 . . . . 0.0 109.74 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.4 m -78.26 -36.69 46.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 111.756 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.9 p -132.37 -33.6 1.27 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.517 -1.364 . . . . 0.0 112.239 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.92 14.62 14.75 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.17 153.82 0.91 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.871 -1.37 . . . . 0.0 108.645 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.34 169.22 11.6 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.899 -1.126 . . . . 0.0 110.15 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.49 74.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.622 -0.674 . . . . 0.0 110.874 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 68.8 mttm -71.53 -40.7 69.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.653 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.25 74.58 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.474 -0.767 . . . . 0.0 110.246 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.0 p -69.21 -38.3 78.5 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.107 -0.996 . . . . 0.0 110.098 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.6 mtm180 -60.21 -37.4 80.18 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.888 -1.133 . . . . 0.0 109.104 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.77 -38.47 80.07 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.922 -1.111 . . . . 0.0 110.466 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -67.56 -40.0 84.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.968 -1.083 . . . . 0.0 110.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -57.69 -60.18 4.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.578 -1.326 . . . . 0.0 110.08 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.06 76.15 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.44 -48.09 57.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.971 -1.311 . . . . 0.0 109.778 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -39.99 75.44 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.996 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -63.87 -39.97 95.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.269 -0.894 . . . . 0.0 110.191 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.07 -1.019 . . . . 0.0 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.9 t90 -60.89 -41.06 95.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.38 -1.45 . . . . 0.0 108.419 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.6 m -62.89 -40.03 96.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.62 -0.675 . . . . 0.0 109.805 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.9 -30.84 68.11 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.905 . . . . 0.0 109.957 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.93 -33.76 14.05 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.697 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.7 m-85 -109.79 -0.03 18.6 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.305 -0.872 . . . . 0.0 111.922 -177.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 85' ' ' CYS . 18.3 tp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 120.632 -1.292 . . . . 0.0 109.588 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' B' ' 1' ' ' MET . 5.0 mpp? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.361 0.6 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.8 m -85.41 131.77 34.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.324 -0.86 . . . . 0.0 109.511 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -70.63 161.75 30.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.166 -0.958 . . . . 0.0 109.57 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.7 m -62.56 151.16 38.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.131 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -57.33 -22.73 44.18 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.629 -0.669 . . . . 0.0 110.104 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.57 -37.41 83.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.923 -1.111 . . . . 0.0 109.42 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 64.1 t60 -57.34 -49.23 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.041 -1.037 . . . . 0.0 110.098 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.98 -32.59 70.87 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.124 -0.985 . . . . 0.0 110.231 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.44 -38.68 71.32 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.878 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.92 -41.6 86.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.086 -1.009 . . . . 0.0 110.213 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -83.18 15.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.121 -0.987 . . . . 0.0 109.53 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.95 -8.95 11.85 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.657 -0.652 . . . . 0.0 110.788 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -154.29 152.82 27.15 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.673 -1.267 . . . . 0.0 109.844 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -40.39 159.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 122.013 1.809 . . . . 0.0 111.586 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.495 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.5 ptp -88.44 -14.62 37.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.028 -1.045 . . . . 0.0 109.473 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.54 -143.99 2.45 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -105.04 27.15 8.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -1.021 . . . . 0.0 110.279 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.511 ' N ' ' CD ' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -61.38 149.91 81.84 Favored Pre-proline 0 C--N 1.303 -1.421 0 O-C-N 120.905 -1.122 . . . . 0.0 108.022 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 158.18 56.71 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.214 1.942 . . . . 0.0 112.693 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 21' ' ' GLY . 10.8 p -53.82 -44.96 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.403 0.621 . . . . 0.0 110.556 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.566 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.09 -4.01 0.16 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 11.7 p -82.02 -24.33 35.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.724 -1.457 . . . . 0.0 108.69 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.38 137.69 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.644 0.735 . . . . 0.0 109.591 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 135.17 55.62 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.826 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.89 51.4 Favored Glycine 0 N--CA 1.5 2.914 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.71 117.33 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.213 -1.169 . . . . 0.0 108.185 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.437 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -92.42 176.37 38.41 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.6 -40.02 78.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -1.098 . . . . 0.0 110.827 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.14 -42.81 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 0.0 109.294 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.437 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.1 mt -66.1 -36.29 82.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.425 -0.797 . . . . 0.0 109.678 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.81 -39.28 91.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.48 -39.66 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 110.474 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -66.25 -49.56 66.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.726 -1.234 . . . . 0.0 109.552 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 -40.0 92.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 109.217 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.96 -41.99 93.13 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.474 -0.891 . . . . 0.0 109.509 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.92 -22.49 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.577 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -89.91 0.22 57.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.398 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.96 37.14 3.23 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 121.017 -1.052 . . . . 0.0 111.516 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -133.67 72.67 1.48 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.998 -1.295 . . . . 0.0 108.605 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -80.88 -12.92 59.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.243 -0.91 . . . . 0.0 110.622 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -131.2 153.4 49.49 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.92 95.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.497 -0.752 . . . . 0.0 111.546 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -58.41 -19.25 34.55 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.652 -1.28 . . . . 0.0 111.177 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.51 -32.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.577 -1.327 . . . . 0.0 108.08 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.46 -37.21 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' B' ' 15' ' ' MET . 60.4 tp -60.11 -39.92 87.87 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.69 -43.06 86.44 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.99 -44.93 94.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -1.164 . . . . 0.0 108.76 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.378 -0.826 . . . . 0.0 109.209 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.25 -39.18 82.34 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 51.2 t -66.91 -31.49 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.487 -0.758 . . . . 0.0 110.349 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.0 mt -87.9 13.39 10.93 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.967 -1.083 . . . . 0.0 110.038 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' B' ' 55' ' ' ASP . 98.9 mttt 48.52 50.36 17.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.855 -1.153 . . . . 0.0 110.345 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 48.7 pttt 41.78 21.0 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.762 -1.211 . . . . 0.0 111.23 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 53' ' ' LYS . 69.5 m-20 -65.19 112.09 3.26 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.112 -0.992 . . . . 0.0 113.067 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.81 -40.11 79.7 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.517 -1.364 . . . . 0.0 110.093 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.62 -39.21 73.87 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.303 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.41 -48.8 79.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 109.968 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -60.05 -44.81 94.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 111.098 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.64 -39.41 94.29 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.637 -1.29 . . . . 0.0 108.674 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.2 -49.97 75.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.21 -0.931 . . . . 0.0 111.305 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.54 -45.85 71.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.99 -1.069 . . . . 0.0 110.293 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.03 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.093 -1.005 . . . . 0.0 109.82 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.2 t0 -69.12 -30.28 68.52 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.411 -0.805 . . . . 0.0 109.779 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.1 m -78.21 -36.67 46.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.157 -0.964 . . . . 0.0 111.83 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.9 p -132.34 -33.48 1.28 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.457 -1.402 . . . . 0.0 112.242 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.81 14.75 14.6 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.18 153.79 0.91 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.846 -1.385 . . . . 0.0 108.669 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.26 169.11 11.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.739 -1.226 . . . . 0.0 110.236 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.62 74.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.839 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 68.8 mttm -71.39 -40.68 70.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.733 -1.229 . . . . 0.0 109.73 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -33.4 74.88 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -69.26 -38.24 78.31 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.1 -1.0 . . . . 0.0 110.023 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.7 mtm180 -60.17 -37.45 80.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.876 -1.14 . . . . 0.0 109.098 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.7 -38.56 80.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.868 -1.145 . . . . 0.0 110.495 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.47 -40.03 85.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.01 -1.056 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -57.59 -60.22 3.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.671 -1.268 . . . . 0.0 110.1 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.38 -31.19 76.41 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -70.3 -48.21 57.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.958 -1.319 . . . . 0.0 109.796 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.93 -40.08 75.74 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.116 -1.033 . . . . 0.0 108.924 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -63.76 -40.12 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.5 mt-10 -70.03 -39.75 75.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 111.001 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.77 -41.1 94.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.423 -1.423 . . . . 0.0 108.467 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' B' ' 89' ' ' LEU . 94.4 m -62.98 -39.99 96.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.628 -0.67 . . . . 0.0 109.794 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.99 -30.69 68.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.918 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.92 -33.83 14.03 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.06 -1.025 . . . . 0.0 110.775 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.6 m-85 -109.76 0.04 18.68 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.301 -0.875 . . . . 0.0 111.887 -177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 120.567 -1.333 . . . . 0.0 109.577 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -68.26 151.4 46.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 0.0 109.784 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -93.1 169.66 10.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.39 -0.818 . . . . 0.0 109.726 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -75.97 165.6 24.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.336 -0.853 . . . . 0.0 109.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.76 -23.5 65.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.597 -0.689 . . . . 0.0 111.031 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -38.57 86.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 109.697 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.0 t60 -58.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.434 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 97.2 mtt180 -70.05 -32.02 69.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.066 -1.021 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.59 -39.25 77.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.266 -0.896 . . . . 0.0 109.67 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.89 -46.06 79.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.0 m -85.09 10.34 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.991 -1.068 . . . . 0.0 110.552 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -105.73 -12.97 15.7 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.191 -0.943 . . . . 0.0 110.093 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.95 154.74 29.42 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.102 -0.999 . . . . 0.0 109.131 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -40.75 160.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.915 1.743 . . . . 0.0 111.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.8 ptp -89.82 -18.49 26.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.018 -1.051 . . . . 0.0 110.151 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.52 -141.43 7.53 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.57 29.66 6.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.403 -1.057 . . . . 0.0 110.33 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.92 149.84 71.63 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.739 -1.225 . . . . 0.0 108.74 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.71 156.74 62.38 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.499 2.133 . . . . 0.0 112.752 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.6 p -54.13 -43.82 61.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-O 121.424 0.631 . . . . 0.0 110.228 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.0 -3.61 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' VAL . 8.4 t -82.57 -23.86 34.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.766 -1.432 . . . . 0.0 108.979 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.26 135.7 57.59 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.371 -0.831 . . . . 0.0 109.592 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 135.49 55.17 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.646 0.736 . . . . 0.0 109.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.05 -18.45 52.0 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mm -98.06 117.93 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.176 -1.191 . . . . 0.0 107.844 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -88.66 172.17 40.48 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.9 -40.09 75.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -1.119 . . . . 0.0 110.146 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.2 -43.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.955 -1.091 . . . . 0.0 109.512 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 27' ' ' GLY . 95.3 mt -66.29 -36.65 83.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.389 -0.819 . . . . 0.0 109.902 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -38.74 94.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -39.39 93.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -1.091 . . . . 0.0 110.015 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.8 -46.13 76.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.889 -1.132 . . . . 0.0 109.68 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.02 -39.25 91.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.023 . . . . 0.0 108.878 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.94 -40.06 87.66 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.858 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.54 -19.32 64.49 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.237 -0.914 . . . . 0.0 108.771 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 37' ' ' ARG . 2.6 mmt-85 -90.22 0.91 56.98 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.659 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 5.35 42.99 Favored Glycine 0 N--CA 1.503 3.155 0 O-C-N 120.985 -1.072 . . . . 0.0 111.719 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.18 73.07 1.11 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.773 -1.427 . . . . 0.0 108.487 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p-10 -82.08 -13.12 57.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -130.07 151.58 50.46 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.158 -0.964 . . . . 0.0 109.054 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.65 95.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.303 -0.873 . . . . 0.0 111.791 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -59.3 -18.89 41.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.481 -1.387 . . . . 0.0 110.828 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -79.57 -31.61 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.737 -1.227 . . . . 0.0 107.929 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -74.85 -39.91 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 15' ' ' MET . 65.3 tp -59.99 -39.15 84.77 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.88 72.43 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.0 -45.83 91.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.143 -1.21 . . . . 0.0 108.627 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.0 108.859 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.55 -39.8 84.97 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.28 -25.58 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.439 -0.788 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.9 13.59 14.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.075 -1.016 . . . . 0.0 110.33 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 99.6 mttt 48.96 49.03 20.0 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.944 -1.098 . . . . 0.0 110.495 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.63 20.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.906 -1.121 . . . . 0.0 111.889 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 18.1 t0 -68.82 110.75 4.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.544 -1.347 . . . . 0.0 107.453 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.15 -40.13 95.49 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.8 m-20 -67.31 -39.96 85.96 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.091 -1.631 . . . . 0.0 109.877 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.89 -37.63 73.02 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.24 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.26 -47.01 81.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.635 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.9 mtm180 -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.953 . . . . 0.0 110.978 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.839 -1.163 . . . . 0.0 109.508 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -60.79 -49.7 76.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.74 -50.38 57.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.098 -1.001 . . . . 0.0 110.757 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.01 -48.15 83.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.786 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 30.7 t0 -67.62 -29.77 69.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.566 -0.709 . . . . 0.0 109.641 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 m -78.73 -34.09 46.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 111.09 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.3 -35.66 0.92 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.609 -1.307 . . . . 0.0 111.998 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.54 17.23 7.15 Favored Glycine 0 N--CA 1.501 3.02 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.92 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.92 -1.341 . . . . 0.0 109.243 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.48 173.12 8.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 110.456 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.45 74.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.569 -0.707 . . . . 0.0 110.494 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.07 -41.28 70.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.915 -1.116 . . . . 0.0 110.06 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.02 -37.36 84.02 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.266 -0.896 . . . . 0.0 110.572 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.2 m -66.48 -39.4 88.74 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.054 -1.029 . . . . 0.0 110.406 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 75' ' ' ARG . 56.8 mtt-85 -59.94 -37.71 80.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.752 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.32 -39.96 85.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.746 -1.221 . . . . 0.0 110.788 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -68.71 -40.03 80.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.797 -1.189 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.84 -60.29 4.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.598 -1.314 . . . . 0.0 110.381 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.54 79.26 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.5 -48.7 59.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.016 -1.285 . . . . 0.0 110.177 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.01 -40.01 75.49 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.265 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.21 -40.14 95.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.175 -0.953 . . . . 0.0 110.382 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.95 -37.46 75.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.07 -1.018 . . . . 0.0 110.391 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.39 95.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.475 -1.39 . . . . 0.0 108.044 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 89' ' ' LEU . 48.2 m -60.08 -40.09 88.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 110.079 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.21 -32.09 70.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.32 -34.3 13.57 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.201 -0.937 . . . . 0.0 110.959 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.5 m-85 -109.86 0.17 18.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.348 -0.845 . . . . 0.0 111.815 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.861 -1.149 . . . . 0.0 109.402 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.3 p -68.45 151.48 46.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.752 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 57.2 p -93.21 169.76 10.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.384 -0.822 . . . . 0.0 109.764 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -76.03 165.53 24.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 109.528 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.65 -23.64 64.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.631 -0.668 . . . . 0.0 111.056 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.05 -38.69 87.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.757 -1.215 . . . . 0.0 109.725 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.417 ' O ' HG22 ' B' ' 11' ' ' VAL . 67.9 t60 -57.86 -51.5 69.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 110.468 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 97.1 mtt180 -70.12 -31.95 69.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.052 -1.03 . . . . 0.0 110.302 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.78 -39.13 76.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -65.93 -46.04 79.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 7' ' ' HIS . 33.0 m -85.11 10.2 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.068 . . . . 0.0 110.547 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -105.61 -12.83 15.79 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.181 -0.95 . . . . 0.0 110.128 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -154.91 154.78 29.52 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.097 -1.002 . . . . 0.0 109.125 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.77 160.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.877 1.718 . . . . 0.0 111.688 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.464 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -89.66 -18.78 25.81 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.106 -0.996 . . . . 0.0 110.095 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.83 -141.31 8.22 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.74 29.57 6.5 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -1.026 . . . . 0.0 110.315 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.96 149.8 72.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 120.92 -1.112 . . . . 0.0 108.77 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.7 156.71 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.492 2.128 . . . . 0.0 112.812 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.6 p -54.19 -43.69 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.728 -0.607 . . . . 0.0 110.204 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.401 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.95 -3.86 0.6 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' B' ' 20' ' ' VAL . 8.4 t -82.39 -23.79 34.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.684 -1.48 . . . . 0.0 108.976 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.36 135.84 57.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.368 -0.833 . . . . 0.0 109.477 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 135.63 55.28 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.643 0.735 . . . . 0.0 109.819 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.92 -18.44 52.34 Favored Glycine 0 N--CA 1.499 2.834 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -98.21 117.97 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.448 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -88.65 172.14 40.47 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.83 -40.03 75.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.375 -1.074 . . . . 0.0 110.179 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.3 -43.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.948 -1.095 . . . . 0.0 109.517 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.448 HD12 ' H ' ' B' ' 27' ' ' GLY . 95.4 mt -66.33 -36.65 83.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.395 -0.816 . . . . 0.0 109.85 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.81 94.58 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.34 -39.19 93.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.382 -1.069 . . . . 0.0 110.05 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -67.04 -46.1 75.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 0.0 109.723 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.82 -39.29 91.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.96 -40.24 88.34 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.826 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.45 -19.24 64.56 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.508 HH11 ' HG2' ' B' ' 37' ' ' ARG . 2.6 mmt-85 -90.17 0.64 57.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.66 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.59 5.14 42.64 Favored Glycine 0 N--CA 1.502 3.066 0 O-C-N 121.063 -1.023 . . . . 0.0 111.79 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.97 73.05 1.13 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.772 -1.428 . . . . 0.0 108.445 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 32.4 p-10 -82.05 -13.14 57.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.472 -0.768 . . . . 0.0 110.855 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.99 151.5 50.47 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.981 . . . . 0.0 109.07 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.76 95.45 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.159 -0.963 . . . . 0.0 111.736 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.14 -18.9 40.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.574 -1.329 . . . . 0.0 110.883 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.54 -31.67 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.606 -1.309 . . . . 0.0 107.927 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.87 -39.94 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' B' ' 15' ' ' MET . 65.1 tp -60.03 -39.15 84.89 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.97 -44.81 72.35 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.99 -45.78 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.02 -1.282 . . . . 0.0 108.703 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.0 -40.0 87.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.429 -0.794 . . . . 0.0 108.877 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.61 -39.71 84.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.34 -25.56 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.446 -0.784 . . . . 0.0 110.514 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.92 13.33 14.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.981 -1.074 . . . . 0.0 110.358 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' B' ' 55' ' ' ASP . 99.6 mttt 49.27 48.79 20.65 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.945 -1.097 . . . . 0.0 110.504 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 40.82 20.86 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.891 -1.13 . . . . 0.0 111.823 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' LYS . 17.9 t0 -68.87 110.65 4.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.567 -1.333 . . . . 0.0 107.423 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -63.97 -40.13 95.71 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.5 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.8 m-20 -67.35 -40.01 85.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.113 -1.617 . . . . 0.0 109.844 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.91 -37.61 72.93 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.086 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -64.25 -46.96 81.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 110.642 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.5 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -60.05 -45.45 92.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 111.026 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.35 -36.86 85.49 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.779 -1.201 . . . . 0.0 109.535 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.87 -49.84 75.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.164 -0.96 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.7 -50.3 58.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.694 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.06 -48.03 83.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.149 -0.969 . . . . 0.0 109.856 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 37.3 t0 -67.82 -29.61 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.608 -0.683 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -78.64 -34.19 46.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.178 -0.951 . . . . 0.0 111.151 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -134.42 -35.46 0.91 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.62 -1.3 . . . . 0.0 111.999 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.47 17.06 7.27 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.81 2.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.936 -1.332 . . . . 0.0 109.237 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -91.39 173.17 8.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.04 -1.037 . . . . 0.0 110.416 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.55 75.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 110.424 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.08 -41.13 71.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.941 -1.099 . . . . 0.0 109.998 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.2 -37.25 83.33 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.864 . . . . 0.0 110.551 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 41.0 m -66.55 -39.29 88.46 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.026 -1.046 . . . . 0.0 110.392 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -59.96 -37.75 80.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.894 -1.129 . . . . 0.0 109.74 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.29 -39.93 86.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.61 -1.307 . . . . 0.0 110.747 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.79 -39.98 79.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.727 -1.233 . . . . 0.0 110.483 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.89 -60.4 3.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.688 -1.257 . . . . 0.0 110.319 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.6 -32.57 78.77 Favored Glycine 0 N--CA 1.492 2.385 0 O-C-N 121.185 -0.947 . . . . 0.0 110.737 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.56 -48.65 59.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.027 -1.278 . . . . 0.0 110.089 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.98 -40.04 75.6 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.23 -39.99 94.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 0.0 110.381 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -69.96 -37.56 75.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.086 -1.009 . . . . 0.0 110.38 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.4 t90 -60.17 -43.34 95.91 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.555 -1.341 . . . . 0.0 108.019 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' B' ' 89' ' ' LEU . 49.1 m -60.05 -40.17 88.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 110.104 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.09 -32.19 70.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.172 -0.955 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.39 -34.25 13.53 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.091 -1.005 . . . . 0.0 110.928 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.5 m-85 -109.8 0.16 18.67 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.368 -0.832 . . . . 0.0 111.785 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.8 tp . . . . . 0 N--CA 1.5 2.065 0 O-C-N 120.823 -1.173 . . . . 0.0 109.504 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.7 p -90.08 0.17 57.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 109.494 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -70.05 159.54 33.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 109.7 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.47 ' OG ' ' NZ ' ' A' ' 6' ' ' LYS . 29.6 t -76.59 162.87 27.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.552 ' H ' ' NE2' ' A' ' 5' ' ' GLN . 3.2 mp0 -62.95 -20.78 65.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.696 -0.628 . . . . 0.0 110.328 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' NZ ' ' OG ' ' A' ' 4' ' ' SER . 29.0 mtmm -62.58 -39.06 92.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.059 -1.026 . . . . 0.0 110.177 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.89 -50.92 71.89 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 110.967 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.04 -33.21 71.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.077 -1.015 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.34 75.67 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 109.668 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.21 -41.86 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.569 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -84.46 14.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.949 -1.095 . . . . 0.0 109.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -10.66 11.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.25 153.46 31.0 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.808 -1.183 . . . . 0.0 109.464 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -42.77 159.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.757 1.638 . . . . 0.0 111.472 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.686 ' HE3' HD22 ' A' ' 46' ' ' LEU . 6.4 ptp -90.59 -19.23 23.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.071 . . . . 0.0 109.718 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.82 -139.36 12.86 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.69 30.0 6.9 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.504 -0.997 . . . . 0.0 110.148 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -60.23 150.24 72.54 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.064 -1.022 . . . . 0.0 108.657 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.71 153.59 76.88 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.213 1.942 . . . . 0.0 112.967 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.6 p -53.82 -41.82 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.783 -0.573 . . . . 0.0 110.718 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.29 -3.63 0.95 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.1 t -83.61 -20.93 32.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.806 -1.408 . . . . 0.0 109.448 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.97 135.72 57.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 137.46 58.11 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.708 0.766 . . . . 0.0 110.025 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.89 -16.51 60.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 mm -99.38 120.0 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.29 -1.123 . . . . 0.0 108.209 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.34 173.07 35.39 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.63 -39.89 77.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.382 -1.069 . . . . 0.0 110.025 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.75 -46.03 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.6 -38.74 84.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.42 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -1.138 . . . . 0.0 110.023 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -65.56 -43.0 91.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.974 -1.079 . . . . 0.0 109.524 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.2 -40.14 96.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.113 -0.992 . . . . 0.0 109.88 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.39 -39.97 92.63 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.426 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.12 -19.51 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -0.897 . . . . 0.0 108.989 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -89.76 2.87 54.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.596 -0.69 . . . . 0.0 110.624 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.12 5.09 47.23 Favored Glycine 0 N--CA 1.502 3.095 0 C-N-CA 120.05 -1.072 . . . . 0.0 111.509 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.03 74.55 1.31 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.881 -1.364 . . . . 0.0 108.649 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 38.5 p-10 -80.11 -12.96 59.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.491 -0.755 . . . . 0.0 110.169 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.67 152.69 50.67 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.228 -0.92 . . . . 0.0 109.753 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.03 91.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.485 -0.76 . . . . 0.0 111.735 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.15 -19.78 47.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.55 -1.344 . . . . 0.0 110.919 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -79.51 -30.9 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.28 -37.62 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.686 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.8 tp -59.97 -38.35 82.26 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.84 80.16 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -43.31 95.52 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.343 . . . . 0.0 109.233 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.96 -39.37 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.5 -24.88 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.234 -0.916 . . . . 0.0 111.239 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.36 15.12 9.64 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.889 -1.132 . . . . 0.0 110.731 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 62.4 mmtt 59.8 20.11 8.94 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 0.0 110.166 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 60.23 19.89 9.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.335 -0.853 . . . . 0.0 110.398 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -68.57 122.97 19.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.6 -1.313 . . . . 0.0 107.593 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 81.2 tt0 -63.63 -40.25 96.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.1 -39.04 75.76 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.434 -1.416 . . . . 0.0 111.009 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.01 -38.27 79.15 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.439 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.43 -41.9 96.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.903 . . . . 0.0 109.891 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.9 mtt180 -59.98 -48.5 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.916 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.43 -39.19 93.82 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.893 -1.13 . . . . 0.0 109.511 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -61.78 -49.09 77.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.091 -1.005 . . . . 0.0 111.491 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.22 -45.89 72.08 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.118 -0.988 . . . . 0.0 111.321 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -62.41 -49.8 74.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.987 -1.07 . . . . 0.0 110.876 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -68.41 -25.32 64.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.23 -0.919 . . . . 0.0 109.661 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 82.3 m -79.7 -35.53 38.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.219 -0.925 . . . . 0.0 110.727 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 21.3 p -131.62 -35.28 1.3 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.739 -1.226 . . . . 0.0 111.82 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.77 16.98 9.43 Favored Glycine 0 N--CA 1.5 2.967 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.75 153.85 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.112 -1.228 . . . . 0.0 109.566 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 24.0 t-20 -89.64 170.05 10.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.137 -0.977 . . . . 0.0 110.388 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.28 -33.78 74.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.698 -0.626 . . . . 0.0 110.984 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.89 -41.44 71.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.724 -1.235 . . . . 0.0 109.852 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.4 -36.46 82.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.58 -0.7 . . . . 0.0 110.729 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.6 m -66.55 -38.43 87.12 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.22 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.45 -38.1 83.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.9 -1.125 . . . . 0.0 110.123 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -69.63 -37.99 77.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.647 -1.283 . . . . 0.0 110.777 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.72 -39.94 88.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.878 -1.139 . . . . 0.0 109.976 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.82 -60.09 4.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.758 -1.214 . . . . 0.0 109.983 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.06 -31.93 78.45 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.65 -50.35 37.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.13 -1.218 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.98 -40.0 75.62 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.978 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.7 -39.86 90.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.797 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.93 -38.91 76.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.3 t90 -63.5 -46.57 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.475 -1.39 . . . . 0.0 109.151 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 46' ' ' LEU . 63.0 m -60.02 -41.48 92.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.106 -0.997 . . . . 0.0 110.366 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.13 -27.56 67.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 109.994 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.69 -35.86 11.42 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.185 -0.947 . . . . 0.0 111.436 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -108.23 -11.95 15.16 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.162 -0.961 . . . . 0.0 113.125 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.504 2.253 0 O-C-N 120.211 -1.555 . . . . 0.0 109.392 -179.426 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.8 p -89.9 0.12 57.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 109.552 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -69.99 159.6 33.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 0.0 109.718 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.46 ' OG ' ' NZ ' ' B' ' 6' ' ' LYS . 29.7 t -76.5 162.89 27.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 0.0 109.731 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.561 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 3.2 mp0 -63.08 -20.75 65.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.706 -0.622 . . . . 0.0 110.271 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' NZ ' ' OG ' ' B' ' 4' ' ' SER . 29.0 mtmm -62.57 -38.97 92.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.074 -1.016 . . . . 0.0 110.111 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.01 -50.78 72.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.955 -1.09 . . . . 0.0 111.027 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.99 -33.41 72.0 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.895 -1.128 . . . . 0.0 109.896 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.08 -38.96 75.84 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.677 -0.639 . . . . 0.0 109.836 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -68.43 -41.79 79.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 0.0 110.537 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -84.48 14.12 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.861 -1.149 . . . . 0.0 109.756 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.91 -10.68 11.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 110.83 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.29 153.34 30.78 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 120.731 -1.231 . . . . 0.0 109.489 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.68 159.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.745 1.63 . . . . 0.0 111.483 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.637 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -90.66 -19.41 23.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.015 -1.053 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -139.19 14.08 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.94 30.0 6.96 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.626 -0.926 . . . . 0.0 110.101 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -60.14 150.22 71.9 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 108.601 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.76 153.74 76.19 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.18 1.92 . . . . 0.0 112.846 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.5 p -53.99 -41.72 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.695 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.416 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.25 -3.8 0.99 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.679 -0.969 . . . . 0.0 110.679 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.1 t -83.52 -20.84 33.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.762 -1.434 . . . . 0.0 109.5 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.03 135.7 57.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.097 -1.002 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 137.47 58.15 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.641 0.734 . . . . 0.0 110.027 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.76 -16.48 60.32 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.9 mm -99.3 120.06 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.211 -1.17 . . . . 0.0 108.216 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.5 173.03 35.09 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.44 -39.94 77.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -1.044 . . . . 0.0 110.079 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.72 -46.1 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.036 -1.04 . . . . 0.0 109.553 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.53 -38.81 84.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.678 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.08 96.45 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.17 -1.572 . . . . 0.0 109.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.22 -40.02 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -1.167 . . . . 0.0 110.033 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.66 -42.76 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.614 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -39.92 95.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.969 -1.082 . . . . 0.0 109.834 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.46 -39.98 92.84 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.489 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.1 -19.47 65.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.873 . . . . 0.0 108.976 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.3 OUTLIER -89.78 2.69 54.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.511 -0.743 . . . . 0.0 110.657 -178.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.26 5.11 46.76 Favored Glycine 0 N--CA 1.501 3.028 0 O-C-N 121.039 -1.038 . . . . 0.0 111.484 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -102.92 74.53 1.32 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.839 -1.389 . . . . 0.0 108.71 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 39.2 p-10 -80.01 -13.15 59.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 110.186 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -131.48 152.51 50.65 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.259 -0.901 . . . . 0.0 109.722 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.02 91.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.48 -0.763 . . . . 0.0 111.627 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.32 -19.57 47.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.592 -1.317 . . . . 0.0 110.952 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.56 -31.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -76.05 -37.68 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.637 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.4 tp -59.93 -38.19 81.65 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.84 -44.9 81.51 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.99 -43.29 95.24 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.045 -1.268 . . . . 0.0 109.343 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.05 -39.91 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -39.42 83.3 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.51 -24.97 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.141 -0.974 . . . . 0.0 111.173 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.19 14.84 9.97 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.813 -1.18 . . . . 0.0 110.736 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 62.3 mmtt 59.96 20.04 9.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.418 -0.801 . . . . 0.0 110.179 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 60.34 19.93 9.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.419 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -68.63 122.97 19.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.486 -1.384 . . . . 0.0 107.555 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 81.2 tt0 -63.73 -40.26 96.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.198 -0.939 . . . . 0.0 113.426 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.92 -39.28 76.25 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.422 -1.424 . . . . 0.0 111.1 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.87 -38.34 79.65 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.432 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.39 -41.9 96.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.187 -0.946 . . . . 0.0 109.87 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.526 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.9 mtt180 -59.95 -48.2 82.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.985 -178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.65 -39.24 93.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.832 -1.167 . . . . 0.0 109.484 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 t90 -61.66 -49.23 77.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.026 -1.046 . . . . 0.0 111.429 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.13 -45.71 72.87 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.187 -0.946 . . . . 0.0 111.316 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -62.48 -49.93 73.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.014 -1.053 . . . . 0.0 110.97 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.24 -25.47 65.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.435 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 83.3 m -79.55 -35.64 39.52 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.146 -0.971 . . . . 0.0 110.792 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 21.3 p -131.67 -34.96 1.31 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.737 -1.227 . . . . 0.0 111.871 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.434 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.57 16.88 9.67 Favored Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.72 153.79 2.27 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -1.232 . . . . 0.0 109.624 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 24.0 t-20 -89.65 169.98 10.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.032 -1.043 . . . . 0.0 110.306 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.14 -34.03 74.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.67 -0.644 . . . . 0.0 110.982 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -70.67 -41.56 71.89 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.753 -1.217 . . . . 0.0 109.809 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.31 -36.63 83.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.583 -0.698 . . . . 0.0 110.731 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 31.5 m -66.37 -38.53 87.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.098 -1.001 . . . . 0.0 110.207 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.47 -38.13 83.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.896 -1.128 . . . . 0.0 110.128 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.43 -38.09 77.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.686 -1.259 . . . . 0.0 110.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.69 -40.01 88.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.816 -1.177 . . . . 0.0 109.939 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -57.9 -60.08 4.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.714 -1.241 . . . . 0.0 109.911 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.89 -31.96 77.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -70.63 -50.33 38.06 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.147 -1.208 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.05 -40.04 75.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.043 -1.036 . . . . 0.0 108.962 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.63 -39.99 90.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.0 109.669 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.89 -39.0 76.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.507 -0.746 . . . . 0.0 110.895 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.2 t90 -63.31 -46.59 85.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.407 -1.433 . . . . 0.0 109.277 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 46' ' ' LEU . 62.9 m -60.06 -41.29 92.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.219 -0.925 . . . . 0.0 110.388 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.3 -27.68 67.5 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.122 -0.986 . . . . 0.0 109.934 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.61 -35.6 11.56 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.118 -0.989 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -108.52 -11.66 15.11 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.107 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.503 2.196 0 O-C-N 120.096 -1.628 . . . . 0.0 109.392 -179.552 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.191 0.519 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.94 50.04 19.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.114 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -70.19 162.93 27.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 109.643 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -69.92 159.87 32.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.0 110.001 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.49 -22.15 64.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.93 -35.7 75.47 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.922 -1.111 . . . . 0.0 108.933 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.5 -48.32 79.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -69.99 -34.33 73.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.777 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.56 -36.92 68.33 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.403 -0.811 . . . . 0.0 109.933 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.2 t80 -67.94 -40.36 83.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.0 110.225 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.56 16.56 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.571 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.78 9.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.461 -0.775 . . . . 0.0 110.968 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.86 152.78 28.99 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 120.706 -1.246 . . . . 0.0 109.504 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -42.7 160.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 121.858 1.705 . . . . 0.0 111.75 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -89.67 -15.29 32.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 45.94 -141.56 5.1 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -106.42 26.76 9.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.576 -0.955 . . . . 0.0 110.468 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 3.6 mptp? -61.35 149.88 81.8 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.846 -1.158 . . . . 0.0 108.693 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.63 155.13 68.53 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.642 2.228 . . . . 0.0 113.066 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.9 p -53.41 -42.35 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.264 0.554 . . . . 0.0 110.539 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.49 -4.6 1.39 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.86 -22.74 36.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.805 -1.409 . . . . 0.0 108.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.82 139.29 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.883 . . . . 0.0 109.31 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.58 56.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.697 0.761 . . . . 0.0 110.175 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.22 -18.99 53.26 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.75 119.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.204 -1.174 . . . . 0.0 108.355 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.75 173.87 35.52 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -39.99 80.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -1.138 . . . . 0.0 110.183 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.05 -47.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.912 -1.117 . . . . 0.0 109.723 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.6 -37.87 87.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.893 . . . . 0.0 109.746 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.89 96.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.21 -40.18 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -1.124 . . . . 0.0 110.322 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -67.47 -48.23 67.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.104 . . . . 0.0 109.21 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.33 -46.31 90.36 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.631 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.92 -19.56 65.99 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.29 1.47 54.5 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.53 -0.731 . . . . 0.0 109.683 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.16 38.89 Favored Glycine 0 N--CA 1.503 3.136 0 O-C-N 121.135 -0.978 . . . . 0.0 111.576 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.09 74.05 1.18 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.872 -1.37 . . . . 0.0 109.13 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 37.4 p-10 -86.5 -15.18 40.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.542 -0.724 . . . . 0.0 110.827 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.08 145.66 49.11 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.373 -0.829 . . . . 0.0 109.561 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.07 96.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.527 -0.733 . . . . 0.0 111.253 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -59.75 -19.69 51.84 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.686 -1.259 . . . . 0.0 111.131 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.32 -31.14 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.489 -1.382 . . . . 0.0 107.546 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.45 -39.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 62.6 tp -60.06 -39.49 86.19 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.44 89.3 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.04 -41.49 92.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.101 -1.235 . . . . 0.0 108.855 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.88 -39.95 79.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.89 -31.74 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.325 -0.859 . . . . 0.0 110.252 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.44 16.17 9.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.143 -0.973 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mttt 48.27 49.88 17.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.096 -1.003 . . . . 0.0 110.558 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.27 19.62 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.161 -0.962 . . . . 0.0 112.048 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . 25.9 t0 -67.57 115.7 7.46 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.11 -39.92 94.16 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.9 m-20 -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.5 -1.375 . . . . 0.0 110.111 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.03 -39.72 75.61 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.613 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -63.85 -48.31 77.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.91 . . . . 0.0 109.916 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 80.5 mtm180 -60.79 -44.91 96.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 110.875 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.06 -36.47 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.725 -1.234 . . . . 0.0 109.053 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.415 ' O ' ' OG1' ' A' ' 66' ' ' THR . 56.3 t90 -63.38 -46.29 87.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.23 -51.08 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.032 -1.042 . . . . 0.0 110.453 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.12 -47.65 85.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.517 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.83 -27.87 66.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 109.799 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.26 -32.99 38.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 111.495 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -133.02 -30.73 1.33 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.467 -1.395 . . . . 0.0 112.474 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.86 15.25 13.4 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.74 153.5 1.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.275 . . . . 0.0 109.385 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 73' ' ' GLN . 81.3 m-20 -88.78 169.91 11.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.042 -1.036 . . . . 0.0 110.019 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.29 -33.66 73.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.19 -41.75 69.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.886 -1.134 . . . . 0.0 110.259 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 70' ' ' ASN . 36.9 mt-30 -67.86 -32.2 72.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 110.294 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.16 -38.52 82.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.031 -1.043 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 75' ' ' ARG . 44.4 mtt-85 -61.2 -38.0 84.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.979 -1.076 . . . . 0.0 110.043 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.67 -40.0 80.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.69 -1.256 . . . . 0.0 110.751 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.27 -40.04 82.0 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.8 -1.188 . . . . 0.0 109.693 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -59.22 -59.93 4.68 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.624 -1.298 . . . . 0.0 110.144 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.26 75.39 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -68.67 -48.07 64.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.256 -1.143 . . . . 0.0 109.478 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.14 -40.05 75.02 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.878 -1.129 . . . . 0.0 109.418 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -62.79 -41.48 99.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.088 -1.007 . . . . 0.0 110.335 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.02 -38.88 76.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.232 -0.918 . . . . 0.0 110.441 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.6 t90 -60.42 -42.21 95.54 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.578 -1.326 . . . . 0.0 108.221 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 m -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.561 -0.712 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -32.66 71.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.0 110.382 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.4 -35.22 19.87 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.06 -1.025 . . . . 0.0 110.297 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.4 m-85 -108.18 -88.01 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.383 -0.823 . . . . 0.0 110.704 -178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.479 -179.602 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m 49.95 50.03 19.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.153 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -70.3 163.02 27.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 0.0 109.594 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 16.0 t -70.03 160.04 32.7 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.896 0.855 . . . . 0.0 109.889 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.6 -22.11 64.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.777 -0.577 . . . . 0.0 110.195 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.97 -35.58 75.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.066 . . . . 0.0 108.958 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -57.58 -48.24 79.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.783 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -70.01 -34.3 73.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.237 -0.914 . . . . 0.0 109.816 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.54 -36.95 68.39 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.332 -0.855 . . . . 0.0 109.933 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.3 t80 -67.98 -40.52 83.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.085 -1.009 . . . . 0.0 110.108 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 m -83.52 16.63 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.096 -1.002 . . . . 0.0 109.597 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.5 -7.64 9.67 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.525 -0.734 . . . . 0.0 111.016 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -152.96 152.84 28.93 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 120.718 -1.239 . . . . 0.0 109.502 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.68 159.96 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.895 1.73 . . . . 0.0 111.737 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.508 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -89.65 -15.26 33.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.997 -1.064 . . . . 0.0 109.378 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.01 -141.66 5.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.38 26.82 9.38 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.549 -0.971 . . . . 0.0 110.464 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' B' ' 18' ' ' LYS . 3.7 mptp? -61.38 149.9 81.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.816 -1.178 . . . . 0.0 108.669 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.63 155.16 68.38 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.556 2.17 . . . . 0.0 113.083 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.8 p -53.45 -42.49 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.33 -4.56 1.27 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -81.8 -22.84 36.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 108.92 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.86 139.26 58.75 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.801 0.81 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 136.46 55.92 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.661 0.743 . . . . 0.0 110.196 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -19.15 52.34 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -98.64 119.7 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.223 -1.163 . . . . 0.0 108.41 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.7 173.97 35.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.46 -39.99 81.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.342 -1.093 . . . . 0.0 110.177 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.96 -47.3 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.917 -1.114 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -37.91 88.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.751 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.89 96.25 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.17 -40.3 95.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.296 -1.12 . . . . 0.0 110.348 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -67.38 -48.25 67.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.762 -1.211 . . . . 0.0 109.531 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.89 -40.84 96.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.022 -1.049 . . . . 0.0 109.177 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.05 -46.76 88.48 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.515 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.47 -19.74 65.75 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.308 -0.87 . . . . 0.0 108.722 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -88.14 1.48 54.28 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.705 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.87 4.22 39.28 Favored Glycine 0 N--CA 1.503 3.124 0 O-C-N 121.144 -0.973 . . . . 0.0 111.637 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 74.12 1.18 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.893 -1.357 . . . . 0.0 109.071 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 40' ' ' ASP . 37.7 p-10 -86.6 -15.19 40.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.413 -0.804 . . . . 0.0 110.796 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -124.12 145.65 49.14 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -40.07 96.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.562 -0.712 . . . . 0.0 111.162 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.78 -19.84 52.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.664 -1.272 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -78.25 -30.99 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.508 -1.37 . . . . 0.0 107.616 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.64 -39.27 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' B' ' 15' ' ' MET . 62.4 tp -59.97 -39.45 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.79 -41.31 90.72 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.0 -41.45 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -1.211 . . . . 0.0 108.837 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.86 -39.9 79.63 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.96 -31.74 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.339 -0.851 . . . . 0.0 110.243 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.4 16.26 9.14 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.136 -0.978 . . . . 0.0 109.664 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ASP . 93.2 mttt 48.21 49.92 16.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.059 -1.025 . . . . 0.0 110.476 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 pttt 41.39 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 111.986 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' LYS . 29.6 t0 -67.66 115.65 7.47 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.87 -40.11 94.24 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.9 m-20 -69.52 -39.94 77.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.448 -1.407 . . . . 0.0 110.051 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.05 -39.71 75.55 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.59 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -63.83 -48.4 76.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.852 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 80.6 mtm180 -60.67 -44.95 95.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.213 -0.929 . . . . 0.0 110.973 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.08 -36.34 83.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.83 -1.168 . . . . 0.0 109.069 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.41 -46.31 86.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 0.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.15 -51.13 41.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.043 -1.036 . . . . 0.0 110.492 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.0 -47.85 84.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.889 . . . . 0.0 110.551 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.75 -27.77 66.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.9 m -80.35 -33.01 37.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.243 -0.911 . . . . 0.0 111.559 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.99 -30.65 1.34 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.416 -1.428 . . . . 0.0 112.445 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.37 13.47 Favored Glycine 0 N--CA 1.501 2.99 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.72 153.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.044 -1.268 . . . . 0.0 109.451 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.488 ' H ' HE21 ' B' ' 73' ' ' GLN . 81.2 m-20 -88.71 170.0 11.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.001 -1.062 . . . . 0.0 109.982 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.64 73.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.56 -0.712 . . . . 0.0 110.693 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.26 -41.77 69.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.836 -1.165 . . . . 0.0 110.24 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.488 HE21 ' H ' ' B' ' 70' ' ' ASN . 36.9 mt-30 -67.81 -32.19 72.57 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -68.27 -38.35 81.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.032 -1.043 . . . . 0.0 109.893 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' B' ' 75' ' ' ARG . 44.6 mtt-85 -61.2 -38.17 85.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.006 -1.059 . . . . 0.0 110.008 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.63 -39.96 80.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.645 -1.284 . . . . 0.0 110.865 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -68.18 -40.1 82.35 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.762 -1.212 . . . . 0.0 109.73 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.21 -60.0 4.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.645 -1.284 . . . . 0.0 110.188 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.06 -32.22 75.1 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.71 -48.04 64.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -1.142 . . . . 0.0 109.459 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.21 -40.0 74.8 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.337 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.8 -41.53 99.32 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.2 -0.938 . . . . 0.0 110.324 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.05 -38.72 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.506 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.621 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.7 t90 -60.46 -42.32 95.95 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.59 -1.319 . . . . 0.0 108.189 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 m -60.4 -40.0 89.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.546 -0.721 . . . . 0.0 109.455 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.07 -32.76 71.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 0.0 110.442 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.21 19.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.064 -1.022 . . . . 0.0 110.253 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.621 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.4 m-85 -108.33 -88.11 0.48 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.454 -0.779 . . . . 0.0 110.606 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.874 -1.06 . . . . 0.0 109.474 -179.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.267 0.556 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -77.86 163.5 26.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.521 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.46 159.94 27.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 p -70.04 160.24 32.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.382 -0.823 . . . . 0.0 109.309 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.56 -19.87 17.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.682 -0.636 . . . . 0.0 110.349 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.38 -37.21 86.71 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.07 -1.019 . . . . 0.0 109.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 76.6 t60 -59.96 -52.57 64.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 110.56 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -69.98 -32.61 70.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.983 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.22 -37.73 69.14 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.235 -0.915 . . . . 0.0 110.071 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.7 -40.91 88.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -0.835 . . . . 0.0 110.427 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -85.25 18.66 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.927 -1.108 . . . . 0.0 110.102 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.66 -6.88 9.14 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.365 -0.834 . . . . 0.0 110.777 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.69 153.44 50.77 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.881 -1.137 . . . . 0.0 109.518 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.11 153.9 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.736 1.624 . . . . 0.0 111.461 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 84' ' ' TRP . 5.2 ptm -88.83 -21.5 23.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.025 . . . . 0.0 108.98 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.38 -139.17 4.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.96 32.99 4.67 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.736 -0.861 . . . . 0.0 110.228 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -57.18 149.24 47.87 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.152 . . . . 0.0 108.151 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.92 152.36 82.53 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.019 1.812 . . . . 0.0 112.255 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -53.05 -40.69 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.567 -0.708 . . . . 0.0 110.895 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.3 -3.54 5.33 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -81.25 -18.31 46.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.35 . . . . 0.0 109.021 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 139.37 58.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.361 -0.837 . . . . 0.0 109.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 136.15 57.07 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.299 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.25 -19.81 53.0 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.7 mm -100.28 115.82 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.24 -1.153 . . . . 0.0 108.505 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 179.07 38.72 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -57.82 -40.03 79.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.396 -1.061 . . . . 0.0 110.22 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.15 -45.85 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.04 -1.038 . . . . 0.0 109.786 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.08 -37.28 83.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 109.895 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.82 93.18 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -1.094 . . . . 0.0 110.926 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.92 -45.15 78.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.604 -1.31 . . . . 0.0 109.575 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.84 -40.01 96.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 0.0 109.171 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -40.91 91.06 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.138 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.58 -20.24 66.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.0 109.436 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -93.15 6.56 47.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.379 -0.826 . . . . 0.0 110.789 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.2 7.21 50.11 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.985 -1.072 . . . . 0.0 112.463 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.02 72.97 1.12 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.575 -1.544 . . . . 0.0 108.35 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -80.31 -9.97 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.683 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.16 160.01 40.8 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.739 -1.226 . . . . 0.0 110.605 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.94 93.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.687 -0.633 . . . . 0.0 112.627 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -59.92 -19.48 51.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.364 -1.46 . . . . 0.0 110.818 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.9 -33.49 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.76 -1.212 . . . . 0.0 107.847 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 HG23 ' A' ' 20' ' ' VAL . 57.4 t -75.95 -38.17 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' A' ' 15' ' ' MET . 63.6 tp -60.07 -39.31 85.61 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.08 -43.55 93.26 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.04 -40.22 88.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.939 -1.33 . . . . 0.0 109.088 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.05 -40.01 87.96 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.71 -38.48 80.27 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.64 -31.26 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 110.351 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.13 16.01 9.23 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.127 -0.983 . . . . 0.0 109.771 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 48.23 46.77 19.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 22.0 pttp 43.0 21.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.16 -0.962 . . . . 0.0 112.1 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' LYS . 71.9 m-20 -65.77 122.47 17.36 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.6 -42.65 91.38 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.04 -39.98 75.42 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.244 -1.535 . . . . 0.0 110.476 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.04 -39.98 75.4 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.021 -1.071 . . . . 0.0 109.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.0 -49.97 72.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.968 . . . . 0.0 110.163 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.74 -43.42 97.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.3 -0.875 . . . . 0.0 110.945 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.79 -36.33 82.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.745 -1.222 . . . . 0.0 108.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -62.39 -46.54 88.15 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.78 -48.58 63.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.066 -1.021 . . . . 0.0 110.865 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.54 -49.22 78.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 110.361 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.81 -26.89 65.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 109.614 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -78.42 -35.66 46.66 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.223 -0.923 . . . . 0.0 110.943 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 p -132.22 -30.92 1.48 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.657 -1.277 . . . . 0.0 112.133 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.12 17.28 10.28 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.4 2.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -1.2 . . . . 0.0 109.568 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 174.26 7.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.209 -0.932 . . . . 0.0 109.859 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.83 75.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.45 -0.781 . . . . 0.0 110.428 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.81 -41.03 72.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.163 . . . . 0.0 109.669 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -66.74 -39.45 87.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 p -65.92 -38.61 89.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.249 -0.907 . . . . 0.0 110.308 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -59.92 -38.38 82.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.791 -1.193 . . . . 0.0 110.15 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.91 -40.01 83.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.648 -1.282 . . . . 0.0 110.895 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.37 -40.08 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.78 -1.2 . . . . 0.0 110.18 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.22 -60.46 3.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.697 -1.252 . . . . 0.0 110.164 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -32.17 77.15 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.4 -48.61 60.56 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.84 -1.388 . . . . 0.0 109.885 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.99 -39.99 75.58 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.423 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -61.76 -42.08 98.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.2 mt-10 -69.9 -39.77 76.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 110.889 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 15' ' ' MET . 80.0 t90 -59.94 -43.92 94.68 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.344 -1.472 . . . . 0.0 107.706 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.1 m -61.03 -39.96 91.79 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.54 73.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.685 . . . . 0.0 109.988 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.94 19.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.035 . . . . 0.0 110.23 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 88.2 m-85 -104.15 -84.95 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.291 -0.88 . . . . 0.0 110.521 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.587 HD13 ' SD ' ' B' ' 15' ' ' MET . 11.3 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -77.97 163.42 25.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.0 109.57 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p -78.24 160.01 28.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.257 -0.902 . . . . 0.0 109.668 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -70.14 160.26 32.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.345 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.62 -19.73 17.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.643 -0.661 . . . . 0.0 110.331 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.48 -37.11 86.4 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.024 -1.047 . . . . 0.0 109.125 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 76.5 t60 -59.95 -52.67 64.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 110.558 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.02 -32.53 70.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.16 -0.963 . . . . 0.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -72.37 -37.67 68.71 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 110.012 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -66.75 -40.85 88.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.341 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.26 18.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.009 -1.057 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.57 -6.88 9.19 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.367 -0.833 . . . . 0.0 110.835 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -145.64 153.43 50.98 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.822 -1.174 . . . . 0.0 109.416 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -42.03 153.79 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.773 1.648 . . . . 0.0 111.425 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' B' ' 84' ' ' TRP . 5.2 ptm -88.72 -21.57 23.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.074 -1.016 . . . . 0.0 108.968 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.48 -139.05 4.67 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -110.01 32.99 4.69 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.662 -0.905 . . . . 0.0 110.24 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -57.18 149.28 47.66 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 120.832 -1.168 . . . . 0.0 108.087 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.83 152.31 82.6 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.06 1.84 . . . . 0.0 112.201 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.452 HG23 HG21 ' B' ' 45' ' ' VAL . 3.8 p -53.13 -40.65 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.523 -0.736 . . . . 0.0 110.81 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.35 -3.62 5.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.9 m -81.21 -18.34 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.863 -1.375 . . . . 0.0 109.034 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.26 139.37 58.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 136.13 57.12 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.396 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.3 -19.88 52.7 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.4 115.84 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.213 -1.169 . . . . 0.0 108.362 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 179.05 38.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.85 -39.93 78.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.385 -1.068 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.15 -45.97 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.794 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.93 -37.14 83.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 110.052 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.92 -37.76 93.1 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -65.83 -40.02 91.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -1.071 . . . . 0.0 110.851 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.07 -45.02 78.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.557 -1.34 . . . . 0.0 109.53 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.84 -39.99 96.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.214 -0.929 . . . . 0.0 109.199 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.97 -40.97 90.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.158 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.6 -20.17 66.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.512 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -93.21 6.68 47.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.283 -0.886 . . . . 0.0 110.739 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.18 7.23 50.14 Favored Glycine 0 N--CA 1.503 3.11 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.491 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -104.06 72.97 1.11 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 119.194 1.497 . . . . 0.0 108.315 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -80.23 -10.02 59.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.415 -0.803 . . . . 0.0 111.674 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.23 160.02 40.78 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.664 -1.273 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.87 93.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.743 -0.598 . . . . 0.0 112.573 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -60.01 -19.42 52.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.334 -1.479 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.99 -33.42 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.687 -1.258 . . . . 0.0 107.887 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.452 HG21 HG23 ' B' ' 20' ' ' VAL . 57.2 t -75.97 -38.14 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD22 ' HE1' ' B' ' 15' ' ' MET . 63.6 tp -60.03 -39.42 85.84 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.61 92.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.1 -40.19 88.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.296 . . . . 0.0 109.095 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.0 -40.11 88.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.69 -38.49 80.35 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.61 -31.16 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 110.367 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.17 15.98 9.32 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.115 -0.991 . . . . 0.0 109.809 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER 48.35 46.72 20.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 110.031 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' B' ' 53' ' ' LYS . 22.0 pttp 42.95 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.186 -0.946 . . . . 0.0 112.08 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' B' ' 53' ' ' LYS . 71.9 m-20 -65.79 122.35 17.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.494 -1.379 . . . . 0.0 107.321 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.53 -42.61 91.8 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -70.01 -40.01 75.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.359 -1.463 . . . . 0.0 110.54 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.95 -40.04 75.69 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.94 -50.01 72.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.0 110.172 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -60.78 -43.34 98.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 110.976 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.87 -36.25 82.66 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.762 -1.211 . . . . 0.0 108.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' B' ' 66' ' ' THR . 65.0 t90 -62.46 -46.54 88.02 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 110.785 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.79 -48.47 63.55 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 110.838 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.65 -49.23 78.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 110.377 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.71 -27.05 65.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 0.0 109.559 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 26.5 m -78.31 -35.63 47.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 0.0 110.983 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.7 p -132.35 -30.73 1.47 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.678 -1.264 . . . . 0.0 112.094 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.13 17.18 10.35 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 153.38 2.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.062 -1.257 . . . . 0.0 109.572 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.43 174.25 7.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.141 -0.975 . . . . 0.0 109.861 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.88 75.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.444 -0.785 . . . . 0.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.82 -40.99 72.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 109.674 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.79 -39.31 87.75 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.307 -0.871 . . . . 0.0 110.479 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -66.1 -38.51 88.4 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -60.07 -38.33 82.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.843 -1.16 . . . . 0.0 110.115 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.9 -39.97 83.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.622 -1.299 . . . . 0.0 110.946 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -68.39 -40.08 81.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.711 -1.243 . . . . 0.0 110.182 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.19 -60.46 3.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.72 -1.238 . . . . 0.0 110.078 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.61 -32.07 77.11 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.42 -48.54 60.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.89 -1.359 . . . . 0.0 109.848 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.91 -40.13 75.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.402 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -61.73 -42.05 98.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.172 -0.955 . . . . 0.0 109.723 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.61 75.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.334 -0.854 . . . . 0.0 110.889 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' B' ' 15' ' ' MET . 80.2 t90 -60.03 -43.87 95.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.364 -1.46 . . . . 0.0 107.724 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.02 -34.6 73.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.515 -0.741 . . . . 0.0 109.958 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.86 20.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 88.2 m-85 -104.19 -84.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.547 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.491 HD13 ' SD ' ' A' ' 15' ' ' MET . 11.2 tp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.139 -0.976 . . . . 0.0 109.204 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.528 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 m -69.92 129.99 41.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.55 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -70.96 150.18 45.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.266 -0.896 . . . . 0.0 109.306 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m -79.6 163.94 24.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.4 -21.31 62.05 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.588 -0.695 . . . . 0.0 110.358 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.21 -38.04 89.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.0 -50.2 74.69 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.216 -0.927 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.81 -33.04 70.3 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.082 -1.011 . . . . 0.0 110.004 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -71.19 -39.93 71.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.364 -0.835 . . . . 0.0 110.347 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.57 -41.99 87.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.859 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 7' ' ' HIS . 23.0 m -85.46 15.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.094 -1.004 . . . . 0.0 110.167 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.58 -8.75 9.5 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.391 -0.818 . . . . 0.0 110.777 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.24 151.66 44.79 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 120.932 -1.105 . . . . 0.0 109.476 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -40.0 159.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.05 1.833 . . . . 0.0 111.899 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.607 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.1 ptm -92.06 -25.09 18.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 108.965 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.33 -141.6 7.05 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.99 31.88 5.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.623 -0.928 . . . . 0.0 109.908 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -58.7 148.66 66.56 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 108.766 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.58 151.17 86.27 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.248 1.966 . . . . 0.0 112.407 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.7 p -51.3 -45.88 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-O 121.441 0.639 . . . . 0.0 110.082 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.05 -3.18 0.71 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.0 t -80.76 -20.43 42.68 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.381 . . . . 0.0 108.63 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.91 139.67 58.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.354 -0.842 . . . . 0.0 109.462 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 136.28 55.63 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.05 -19.96 50.93 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -98.19 117.23 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.178 -1.189 . . . . 0.0 108.244 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.92 173.49 39.79 Favored Glycine 0 N--CA 1.495 2.627 0 O-C-N 120.673 -1.267 . . . . 0.0 110.264 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.7 -40.04 82.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.484 -1.009 . . . . 0.0 110.85 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.84 -45.42 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.7 -1.25 . . . . 0.0 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.77 -35.56 81.05 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.398 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.64 -39.44 91.08 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.21 -37.39 87.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.228 -1.16 . . . . 0.0 110.081 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.1 -49.88 68.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.518 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.17 -39.91 94.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.618 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.365 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.95 -19.69 64.99 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.354 -0.842 . . . . 0.0 108.95 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 37' ' ' ARG . 44.3 mtt-85 -89.99 0.42 57.11 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.839 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.72 4.33 42.7 Favored Glycine 0 N--CA 1.502 3.089 0 C-N-CA 120.165 -1.017 . . . . 0.0 111.509 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CD2' HG12 ' A' ' 44' ' ' VAL . 97.2 m-85 -103.87 72.61 1.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.023 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -82.69 -11.24 58.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 110.561 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.69 150.85 50.83 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.317 -0.865 . . . . 0.0 109.088 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.57 94.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.387 -0.82 . . . . 0.0 111.169 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -57.38 -19.2 21.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.738 -1.226 . . . . 0.0 111.337 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 39' ' ' PHE . 46.8 t -78.31 -34.41 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.542 -1.349 . . . . 0.0 107.73 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.47 -35.86 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' HE1' ' A' ' 15' ' ' MET . 61.4 tp -59.99 -36.58 77.49 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.2 -41.17 96.58 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.0 -43.63 95.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.32 . . . . 0.0 109.007 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.11 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.12 -39.01 75.72 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' GLY . 61.3 t -68.16 -28.04 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.586 -0.696 . . . . 0.0 111.223 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.03 13.02 11.95 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.945 -1.097 . . . . 0.0 110.713 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.59 39.88 10.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.66 -1.275 . . . . 0.0 110.206 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.97 20.1 9.16 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.445 -0.784 . . . . 0.0 110.575 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.21 105.06 1.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.514 -1.366 . . . . 0.0 108.074 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.44 -40.42 97.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.46 -0.775 . . . . 0.0 112.452 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -68.98 -39.59 79.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.631 -1.293 . . . . 0.0 110.489 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.27 -39.45 78.37 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 119.244 -0.983 . . . . 0.0 109.76 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.24 -42.35 88.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.082 -1.011 . . . . 0.0 109.818 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -60.01 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.24 -0.912 . . . . 0.0 111.08 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -63.67 -36.25 83.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.631 -1.293 . . . . 0.0 108.938 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -61.14 -49.93 75.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.312 -0.867 . . . . 0.0 111.186 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.26 -47.53 70.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.085 -1.01 . . . . 0.0 110.362 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.94 -45.07 95.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.628 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.88 -33.06 73.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.523 -0.736 . . . . 0.0 109.079 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.9 m -75.43 -38.93 59.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.531 -0.731 . . . . 0.0 111.741 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.95 -31.71 1.69 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.621 -1.299 . . . . 0.0 112.104 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.83 16.38 11.71 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.32 155.98 2.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.269 . . . . 0.0 109.351 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.21 168.31 12.85 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.261 -0.899 . . . . 0.0 109.837 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.78 70.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 110.408 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -72.19 -41.61 66.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.908 -1.12 . . . . 0.0 110.241 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.17 -33.6 75.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 0.0 110.528 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.9 p -69.43 -36.53 76.77 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.245 -0.91 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.0 -38.52 82.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.303 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.73 -40.03 88.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.844 -1.16 . . . . 0.0 110.317 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.15 -39.95 86.61 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 110.164 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -58.89 -60.35 4.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.583 -1.323 . . . . 0.0 110.246 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.85 -32.79 83.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.1 -48.62 62.1 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.933 -1.334 . . . . 0.0 109.675 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.02 -39.96 75.48 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.19 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -61.68 -40.68 95.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.264 -0.897 . . . . 0.0 110.004 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -70.63 -39.22 73.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 111.061 -179.25 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 77.7 t90 -62.08 -46.5 88.8 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.339 -1.476 . . . . 0.0 108.895 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.456 ' SG ' HD11 ' A' ' 46' ' ' LEU . 60.4 m -60.37 -40.04 89.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.543 -0.723 . . . . 0.0 109.927 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -58.88 -29.3 66.91 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.135 -0.978 . . . . 0.0 109.585 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.08 -34.2 13.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -0.922 . . . . 0.0 111.11 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.1 m-85 -110.65 -7.52 14.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.254 -0.904 . . . . 0.0 113.15 -176.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.503 2.203 0 O-C-N 120.4 -1.437 . . . . 0.0 109.545 -179.554 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.161 0.505 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.2 m -69.93 129.92 40.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.295 -0.878 . . . . 0.0 109.548 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -70.96 150.29 45.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.859 . . . . 0.0 109.296 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -79.66 164.01 24.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 109.221 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.35 -21.45 62.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.593 -0.692 . . . . 0.0 110.387 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.17 -38.01 89.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.449 ' O ' HG22 ' B' ' 11' ' ' VAL . 78.9 t60 -59.99 -50.13 74.96 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.14 -0.975 . . . . 0.0 110.631 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -70.89 -33.03 70.17 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.128 -0.983 . . . . 0.0 109.976 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -71.27 -39.79 71.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.0 110.351 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -66.58 -41.99 87.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 0.0 109.877 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 7' ' ' HIS . 23.3 m -85.5 15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.227 -0.92 . . . . 0.0 110.137 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.4 -8.7 9.58 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.374 -0.829 . . . . 0.0 110.725 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -146.3 151.67 44.61 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 120.953 -1.092 . . . . 0.0 109.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -39.95 159.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.026 1.817 . . . . 0.0 111.965 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.1 ptm -92.0 -25.16 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 108.984 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 47.44 -141.6 7.26 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -106.91 31.74 5.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.733 -0.863 . . . . 0.0 109.941 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -58.67 148.69 66.17 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.035 -1.041 . . . . 0.0 108.582 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.67 151.17 86.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.233 1.955 . . . . 0.0 112.382 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.7 p -51.23 -46.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.618 -0.676 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.93 -3.28 0.7 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.8 t -80.66 -20.32 43.31 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.837 -1.39 . . . . 0.0 108.604 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.93 139.69 58.27 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.346 -0.846 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 136.52 55.95 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.81 51.82 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -98.33 117.36 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.225 -1.162 . . . . 0.0 108.173 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.99 173.55 39.74 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 120.596 -1.315 . . . . 0.0 110.292 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.71 -40.04 82.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.572 -0.957 . . . . 0.0 110.861 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.94 -45.32 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.744 -1.223 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.83 -35.55 81.0 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.357 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -39.31 90.98 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.43 -37.24 86.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -1.138 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -65.24 -49.79 68.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.864 -1.148 . . . . 0.0 109.56 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.17 -39.96 94.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.227 -0.921 . . . . 0.0 109.566 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -40.02 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.447 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.96 -19.67 64.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.364 -0.835 . . . . 0.0 108.96 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 37' ' ' ARG . 44.1 mtt-85 -90.03 0.26 57.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.562 -0.711 . . . . 0.0 110.868 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.85 4.37 42.27 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.11 -0.994 . . . . 0.0 111.455 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' B' ' 44' ' ' VAL . 97.3 m-85 -103.73 72.54 1.12 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.838 -1.389 . . . . 0.0 108.117 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -82.56 -11.46 58.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.438 -0.789 . . . . 0.0 110.538 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -129.54 150.8 50.72 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.176 -0.953 . . . . 0.0 109.094 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.8 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.511 -0.743 . . . . 0.0 111.221 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -57.26 -19.01 18.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.223 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' B' ' 39' ' ' PHE . 47.1 t -78.62 -34.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.484 -1.385 . . . . 0.0 107.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.43 -35.84 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' B' ' 15' ' ' MET . 61.8 tp -60.05 -36.56 77.59 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.431 ' O ' HG23 ' B' ' 51' ' ' VAL . . . -59.29 -41.02 96.65 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.22 -43.57 95.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.007 -1.29 . . . . 0.0 109.021 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -60.02 -39.98 87.72 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 47' ' ' GLY . 61.5 t -68.21 -28.16 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.521 -0.737 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.85 12.88 11.94 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.911 -1.118 . . . . 0.0 110.676 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 47.67 39.87 10.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.673 -1.267 . . . . 0.0 110.186 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.86 20.34 9.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.388 -0.82 . . . . 0.0 110.553 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.27 104.77 1.56 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.508 -1.37 . . . . 0.0 108.123 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.35 -40.14 96.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.377 -0.827 . . . . 0.0 112.48 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.21 -39.61 78.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.58 -1.325 . . . . 0.0 110.483 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.21 -39.58 78.51 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 119.229 -0.988 . . . . 0.0 109.794 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.98 -42.46 89.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.934 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.02 -49.36 77.97 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.196 -0.94 . . . . 0.0 111.125 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -63.98 -36.11 82.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 108.89 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.5 t90 -61.23 -49.96 75.0 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 111.137 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.22 -47.25 71.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.468 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.15 -45.04 95.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.1 -1.0 . . . . 0.0 109.594 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -68.74 -33.29 73.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 83.0 m -75.4 -38.91 59.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.575 -0.703 . . . . 0.0 111.716 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.98 -31.72 1.68 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.589 -1.319 . . . . 0.0 112.088 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 16.28 11.75 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 155.8 2.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.268 . . . . 0.0 109.345 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -88.08 168.27 12.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.207 -0.933 . . . . 0.0 109.848 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.13 70.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.464 -0.773 . . . . 0.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.86 -41.66 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.937 -1.102 . . . . 0.0 110.247 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.28 -33.56 75.55 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.396 -0.815 . . . . 0.0 110.526 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.8 p -69.46 -36.51 76.66 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.202 -0.936 . . . . 0.0 109.878 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.02 -38.45 82.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.118 . . . . 0.0 109.373 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.78 -39.87 87.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.808 -1.182 . . . . 0.0 110.345 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.26 -40.02 86.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.898 -1.126 . . . . 0.0 110.103 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.77 -60.53 3.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.512 -1.367 . . . . 0.0 110.195 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.44 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.67 -32.82 82.87 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.16 -48.59 61.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.036 -1.273 . . . . 0.0 109.702 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.01 -40.03 75.47 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.194 -1.002 . . . . 0.0 109.243 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -61.55 -40.62 95.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 0.0 109.994 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.84 -39.2 73.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.903 -179.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.11 -46.46 88.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.26 -1.525 . . . . 0.0 108.857 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' B' ' 46' ' ' LEU . 60.4 m -60.37 -39.99 89.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.465 -0.772 . . . . 0.0 109.955 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -58.88 -29.32 66.9 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.165 -0.959 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.15 -34.09 13.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.331 -0.856 . . . . 0.0 111.134 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.3 m-85 -110.77 -7.39 14.63 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.265 -0.897 . . . . 0.0 113.086 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.504 2.236 0 O-C-N 120.442 -1.411 . . . . 0.0 109.635 -179.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -90.63 -0.01 57.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.35 -0.843 . . . . 0.0 109.185 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -70.62 163.45 26.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.406 -0.809 . . . . 0.0 109.697 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -70.0 159.56 33.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.903 . . . . 0.0 109.701 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.83 -19.15 63.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.785 -0.572 . . . . 0.0 110.175 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -35.09 78.24 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.924 -1.11 . . . . 0.0 109.305 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' VAL . 63.3 t60 -60.0 -50.66 72.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.113 -0.992 . . . . 0.0 110.548 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -69.98 -31.66 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.404 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.14 -38.93 69.13 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 50.3 t80 -69.91 -42.92 72.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.152 -0.967 . . . . 0.0 110.725 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 7' ' ' HIS . 18.3 m -85.21 14.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.896 -1.127 . . . . 0.0 110.487 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.05 -6.5 9.49 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.292 -0.88 . . . . 0.0 110.252 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.11 49.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.081 -1.012 . . . . 0.0 109.19 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -42.08 159.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.769 1.646 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.612 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 5.8 ptm -89.33 -22.06 22.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.281 -0.887 . . . . 0.0 109.114 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.41 -142.07 3.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.92 32.75 4.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.934 . . . . 0.0 110.222 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.8 148.39 76.09 Favored Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 120.897 -1.127 . . . . 0.0 108.783 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.96 155.06 66.51 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.454 2.102 . . . . 0.0 112.806 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.0 p -54.33 -45.61 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.705 -0.622 . . . . 0.0 110.472 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.38 -3.57 3.05 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 -20.52 41.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.903 -1.351 . . . . 0.0 108.736 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.02 139.93 58.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.501 -0.75 . . . . 0.0 109.86 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -64.44 135.86 56.52 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.652 0.739 . . . . 0.0 110.021 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.6 -21.71 44.6 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -99.36 118.55 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.239 -1.154 . . . . 0.0 108.289 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.31 -178.65 32.82 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.73 -40.07 82.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.283 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.18 -48.47 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.017 -1.052 . . . . 0.0 109.715 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.38 -36.99 82.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 109.688 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.71 95.98 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -64.79 -37.83 88.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.101 -1.235 . . . . 0.0 110.441 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.37 -47.46 70.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.736 -1.228 . . . . 0.0 109.761 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.1 -39.78 87.36 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -40.02 88.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.953 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.18 -19.21 64.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -0.836 . . . . 0.0 108.773 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.15 0.23 57.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.581 -0.7 . . . . 0.0 110.05 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.57 5.42 48.46 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.961 -1.087 . . . . 0.0 111.799 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.17 74.87 1.22 Allowed 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.821 -1.399 . . . . 0.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -81.2 -11.22 59.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.453 -0.779 . . . . 0.0 111.542 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.49 157.83 45.7 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.68 -1.263 . . . . 0.0 110.474 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.8 92.21 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.82 -19.35 50.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.338 -1.476 . . . . 0.0 110.965 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.91 -33.5 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.552 -1.342 . . . . 0.0 107.887 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.73 -39.62 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.19 -37.94 81.75 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.24 87.84 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.0 -42.5 94.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.16 -1.2 . . . . 0.0 108.587 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.03 -40.05 87.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.552 -0.717 . . . . 0.0 109.235 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.28 -37.14 82.93 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.26 -28.31 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.309 -0.869 . . . . 0.0 110.572 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.6 14.72 7.83 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.059 -1.026 . . . . 0.0 110.335 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 mttp 49.56 36.82 11.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.799 -1.188 . . . . 0.0 110.27 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.06 20.07 9.25 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.455 -0.778 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.39 113.4 5.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.411 -1.431 . . . . 0.0 108.221 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 113.174 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.09 -39.46 79.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.439 -1.413 . . . . 0.0 109.905 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.91 -39.19 76.33 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.32 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.36 -49.73 70.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.124 -0.985 . . . . 0.0 109.823 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.13 -45.23 93.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.486 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.75 -36.49 84.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.803 -1.185 . . . . 0.0 109.563 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -66.72 -43.67 83.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.0 110.609 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.25 -48.46 61.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.404 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.18 -47.37 84.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 110.565 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.12 -26.25 64.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.41 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 m -80.44 -34.4 36.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.409 -0.807 . . . . 0.0 111.145 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 p -131.08 -29.91 1.81 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.633 -1.292 . . . . 0.0 112.432 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.93 15.49 18.16 Favored Glycine 0 N--CA 1.501 2.974 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.92 152.88 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.21 -1.171 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.41 172.2 8.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 109.793 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.84 73.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.42 -0.8 . . . . 0.0 109.96 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.21 -42.43 68.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.813 -1.18 . . . . 0.0 110.186 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -67.72 -40.07 84.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.079 -1.013 . . . . 0.0 110.346 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.5 m -64.17 -40.02 95.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.126 -0.984 . . . . 0.0 110.568 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.28 -36.98 79.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 110.463 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.25 -39.97 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.54 -1.35 . . . . 0.0 111.11 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.65 -39.93 84.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.561 -1.337 . . . . 0.0 110.362 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.13 -59.98 4.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.686 -1.258 . . . . 0.0 110.403 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.29 84.44 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 46.0 t -69.22 -47.72 63.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.072 -1.252 . . . . 0.0 109.354 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.08 -39.9 75.31 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.272 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' O ' ' OD2' ' A' ' 86' ' ' ASP . 70.3 ttt180 -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -0.956 . . . . 0.0 109.452 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.4 -38.26 77.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.834 . . . . 0.0 110.499 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 67.3 t90 -61.04 -43.06 99.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.526 -1.359 . . . . 0.0 108.333 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.2 m -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.315 -0.866 . . . . 0.0 110.256 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 82' ' ' ARG . 7.1 m-20 -60.06 -31.46 70.01 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -34.28 14.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.936 . . . . 0.0 110.802 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.5 m-85 -111.21 1.55 17.28 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.364 -0.835 . . . . 0.0 112.341 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 85' ' ' CYS . 6.3 tp . . . . . 0 N--CA 1.501 2.097 0 O-C-N 120.756 -1.215 . . . . 0.0 109.056 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -90.57 0.04 57.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.407 -0.808 . . . . 0.0 109.197 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.1 p -70.69 163.52 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.807 . . . . 0.0 109.641 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.6 p -69.96 159.49 33.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 0.0 109.72 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.76 -19.17 63.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.837 -0.539 . . . . 0.0 110.159 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.44 -35.29 78.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.945 -1.097 . . . . 0.0 109.21 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.477 ' O ' HG22 ' B' ' 11' ' ' VAL . 63.2 t60 -59.95 -50.66 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.092 -1.005 . . . . 0.0 110.425 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -70.05 -31.64 69.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 110.332 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.06 -39.1 69.26 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 110.101 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 50.4 t80 -69.89 -42.87 72.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.718 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 7' ' ' HIS . 18.2 m -85.22 14.6 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.02 -6.56 9.5 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.32 -0.862 . . . . 0.0 110.348 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -145.31 152.25 49.81 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.028 -1.045 . . . . 0.0 109.103 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.13 159.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.856 1.704 . . . . 0.0 111.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.617 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 5.8 ptm -89.37 -21.97 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.089 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.29 -142.07 3.02 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -107.96 32.77 4.5 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.624 -0.927 . . . . 0.0 110.241 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.82 148.34 76.38 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.901 -1.124 . . . . 0.0 108.722 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.87 155.16 65.63 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.311 2.007 . . . . 0.0 112.851 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.1 p -54.32 -45.72 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.725 -0.61 . . . . 0.0 110.386 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.41 -3.44 2.95 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -81.04 -20.83 40.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.916 -1.343 . . . . 0.0 108.727 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.71 139.96 58.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.492 -0.755 . . . . 0.0 109.831 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 135.91 56.43 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.651 0.738 . . . . 0.0 109.925 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.53 -21.55 45.4 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -99.39 118.59 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.156 -1.202 . . . . 0.0 108.264 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.29 -178.71 32.84 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -58.75 -39.93 82.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.457 -1.025 . . . . 0.0 110.253 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.31 -48.39 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 109.697 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.31 -37.08 82.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.72 96.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -64.74 -37.95 89.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -1.212 . . . . 0.0 110.489 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.3 -47.48 70.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.767 -1.208 . . . . 0.0 109.817 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.2 -39.64 87.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.11 -0.994 . . . . 0.0 108.409 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -40.08 88.04 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.978 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.1 -19.31 64.83 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -90.27 0.55 57.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.07 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.43 5.47 48.84 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.102 -0.999 . . . . 0.0 111.763 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.25 74.94 1.22 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.76 -1.435 . . . . 0.0 108.735 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -81.36 -11.25 59.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.503 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -137.36 157.86 45.68 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.817 -1.177 . . . . 0.0 110.5 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.64 92.44 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -59.78 -19.54 51.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.258 -1.526 . . . . 0.0 110.952 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.9 -33.44 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 120.54 -1.35 . . . . 0.0 107.892 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.75 -39.81 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.03 -38.1 81.74 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 -43.16 87.4 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.04 -42.58 94.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.191 -1.182 . . . . 0.0 108.494 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.02 -40.05 87.96 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.25 -37.25 83.22 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.489 -0.884 . . . . 0.0 108.671 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.2 -28.1 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.668 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.71 14.63 8.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.032 -1.042 . . . . 0.0 110.32 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 49.77 36.69 11.55 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.762 -1.211 . . . . 0.0 110.219 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.04 20.03 9.19 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.485 -0.76 . . . . 0.0 110.926 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -68.37 113.28 5.81 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.444 -1.41 . . . . 0.0 108.115 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -66.16 -40.04 90.25 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.379 -0.826 . . . . 0.0 113.147 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.9 -39.56 79.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.483 -1.386 . . . . 0.0 109.909 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.7 mt -69.92 -39.08 76.38 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.36 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -64.5 -49.8 69.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.787 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -59.91 -45.39 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.092 -1.005 . . . . 0.0 110.514 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.71 -36.6 84.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.79 -1.193 . . . . 0.0 109.485 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.59 -43.6 84.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.331 -0.856 . . . . 0.0 110.687 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.4 -48.54 60.81 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.134 -0.979 . . . . 0.0 110.311 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.1 -47.43 84.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 110.538 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.95 -26.3 64.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 109.398 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.7 m -80.58 -34.16 35.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 111.153 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -131.27 -30.07 1.76 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.74 -1.225 . . . . 0.0 112.302 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.96 15.48 18.11 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 152.84 2.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -1.143 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -90.49 172.06 8.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.868 -1.145 . . . . 0.0 109.804 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.61 73.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.368 -0.832 . . . . 0.0 110.047 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.43 -42.3 68.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 110.162 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' B' ' 73' ' ' GLN . 0.9 OUTLIER -67.8 -40.02 83.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 110.338 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -64.24 -39.94 94.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.094 -1.004 . . . . 0.0 110.527 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.39 -36.73 78.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.947 -1.096 . . . . 0.0 110.514 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.34 -40.13 81.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.506 -1.371 . . . . 0.0 111.158 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.62 -39.85 84.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.702 -1.249 . . . . 0.0 110.398 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.16 -59.99 4.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.733 -1.229 . . . . 0.0 110.385 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.61 -33.25 84.29 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.4 -47.64 63.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.009 -1.289 . . . . 0.0 109.355 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.01 -39.94 75.53 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.244 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.42 ' O ' ' OD2' ' B' ' 86' ' ' ASP . 70.3 ttt180 -60.51 -39.97 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 109.442 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -69.23 -38.41 78.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.343 -0.848 . . . . 0.0 110.552 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CH2' ' SD ' ' B' ' 15' ' ' MET . 67.1 t90 -60.88 -42.97 99.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.446 -1.409 . . . . 0.0 108.449 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' B' ' 89' ' ' LEU . 55.8 m -61.3 -40.02 92.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.225 -0.922 . . . . 0.0 110.161 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . 0.42 ' OD2' ' O ' ' B' ' 82' ' ' ARG . 7.8 m-20 -60.07 -31.35 69.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.52 -34.39 14.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.243 -0.911 . . . . 0.0 110.841 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.6 m-85 -111.09 1.67 17.47 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.325 -0.859 . . . . 0.0 112.312 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 85' ' ' CYS . 5.3 tp . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.744 -1.222 . . . . 0.0 109.198 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.65 172.76 10.82 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -69.97 150.65 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.087 -1.008 . . . . 0.0 109.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -79.29 167.38 21.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.37 -19.48 65.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.56 -0.713 . . . . 0.0 109.979 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.9 -39.68 90.24 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 109.957 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 73.7 t60 -57.49 -51.29 70.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 0.0 110.831 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.13 -32.54 70.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.198 -0.939 . . . . 0.0 110.126 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.33 -37.52 68.86 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.441 -0.787 . . . . 0.0 110.17 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.66 -40.44 80.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.513 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.38 16.42 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.972 -1.08 . . . . 0.0 110.187 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.86 -5.77 9.61 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.409 -0.807 . . . . 0.0 110.921 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.29 151.72 37.59 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.836 -1.165 . . . . 0.0 109.309 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -38.98 158.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.174 0 C-N-CA 121.878 1.718 . . . . 0.0 111.575 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' A' ' 84' ' ' TRP . 6.3 ptm -90.4 -19.64 23.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.191 -0.943 . . . . 0.0 109.131 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 44.07 -142.05 2.83 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.57 36.77 2.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.705 -0.879 . . . . 0.0 109.86 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -59.79 149.18 73.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.125 -0.984 . . . . 0.0 108.501 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.41 150.28 88.96 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.289 1.993 . . . . 0.0 112.357 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 HG21 ' A' ' 45' ' ' VAL . 2.9 p -52.55 -40.15 32.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.697 -0.627 . . . . 0.0 110.069 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.72 -4.3 9.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -80.92 -20.28 42.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.883 -1.363 . . . . 0.0 108.949 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.33 138.74 58.58 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 136.92 57.26 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.493 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.41 -19.56 52.19 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -97.41 119.24 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.083 -1.246 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.59 37.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.9 -39.91 82.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -1.076 . . . . 0.0 110.609 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.97 -45.66 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.796 -1.19 . . . . 0.0 109.658 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.87 -38.23 85.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.0 109.555 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.34 92.52 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.98 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.465 -1.02 . . . . 0.0 110.569 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.7 -47.38 69.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.545 -1.347 . . . . 0.0 109.948 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.4 mt -60.06 -39.72 86.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.881 -1.137 . . . . 0.0 108.927 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -40.27 88.6 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.624 -0.83 . . . . 0.0 108.947 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.486 -0.759 . . . . 0.0 109.006 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.516 HH11 ' HG2' ' A' ' 37' ' ' ARG . 26.8 mtt-85 -90.39 -0.29 57.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.475 -0.765 . . . . 0.0 110.969 -178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.21 3.42 35.76 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 120.983 -1.073 . . . . 0.0 111.64 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -104.73 73.46 1.08 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.722 -1.458 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.14 -10.04 59.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.527 -0.733 . . . . 0.0 111.075 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -137.65 158.55 44.14 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.924 -1.11 . . . . 0.0 110.541 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.25 95.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -60.18 -19.67 55.1 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.359 -1.463 . . . . 0.0 111.402 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -78.23 -34.25 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.379 -1.451 . . . . 0.0 107.684 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.425 HG21 HG23 ' A' ' 20' ' ' VAL . 72.6 t -76.52 -36.73 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 15' ' ' MET . 57.2 tp -59.97 -38.59 82.96 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.43 -42.55 93.85 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -59.97 -44.29 94.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.963 -1.316 . . . . 0.0 108.732 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.1 -39.63 78.87 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.93 -24.33 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.432 -0.793 . . . . 0.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -89.4 12.24 16.9 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.084 -1.01 . . . . 0.0 111.588 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 47.4 38.9 8.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.489 -1.382 . . . . 0.0 110.475 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.48 20.15 8.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.449 -0.782 . . . . 0.0 111.159 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.71 104.59 1.68 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.534 -1.354 . . . . 0.0 108.38 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.7 -40.08 94.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.357 -0.84 . . . . 0.0 112.331 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 48.0 m-20 -67.23 -39.98 86.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.583 -1.323 . . . . 0.0 109.529 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.83 -39.13 73.17 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.692 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -63.69 -49.38 73.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.713 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 84.2 mtm180 -60.04 -46.81 88.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 111.081 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.02 -36.83 85.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.587 -1.32 . . . . 0.0 109.143 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -64.15 -48.2 76.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.947 . . . . 0.0 111.417 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.45 -47.87 66.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.004 -1.06 . . . . 0.0 110.8 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -63.25 -47.12 83.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.128 -0.982 . . . . 0.0 109.889 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 27.3 t0 -68.92 -28.77 66.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.541 -0.725 . . . . 0.0 109.622 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.4 m -79.73 -35.12 39.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.41 -0.806 . . . . 0.0 111.132 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.81 -31.34 1.54 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.73 -1.231 . . . . 0.0 111.848 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 15.02 13.64 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.19 152.73 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.935 -1.333 . . . . 0.0 109.327 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.27 171.94 9.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.079 -1.013 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.23 73.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.578 -0.702 . . . . 0.0 110.573 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -70.06 -41.32 74.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.751 -1.218 . . . . 0.0 109.932 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.38 -39.63 89.2 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 110.717 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -65.06 -38.69 91.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.03 -38.87 83.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.958 -1.089 . . . . 0.0 109.943 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.62 -38.84 84.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.701 -1.249 . . . . 0.0 110.469 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.89 -40.05 83.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.892 -1.13 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.69 -60.06 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.484 -1.385 . . . . 0.0 110.032 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -32.81 76.61 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.33 -50.0 50.58 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.688 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.59 -40.6 73.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.941 -1.099 . . . . 0.0 109.498 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -61.62 -41.1 97.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.204 -0.935 . . . . 0.0 110.176 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.48 74.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.645 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -62.29 -45.35 93.63 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.407 -1.433 . . . . 0.0 108.988 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 89' ' ' LEU . 63.3 m -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.454 -0.779 . . . . 0.0 109.78 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -58.53 -31.13 67.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.477 -0.764 . . . . 0.0 110.242 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.13 -31.52 14.13 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.08 -1.013 . . . . 0.0 110.696 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 76.4 m-85 -110.81 -8.1 14.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.201 0 O-C-N 120.304 -1.497 . . . . 0.0 109.311 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -73.66 172.76 10.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.403 -0.811 . . . . 0.0 108.882 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -70.01 150.63 46.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.969 -1.082 . . . . 0.0 109.085 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.0 t -79.21 167.41 21.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.51 -19.37 65.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.715 . . . . 0.0 109.995 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -39.74 90.74 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.009 -1.057 . . . . 0.0 109.902 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.8 t60 -57.43 -51.43 69.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.011 -1.056 . . . . 0.0 110.745 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.92 -32.73 71.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.222 -0.924 . . . . 0.0 110.145 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.17 -37.79 69.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.458 -0.776 . . . . 0.0 110.151 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -68.5 -40.4 80.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.842 . . . . 0.0 110.464 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -85.48 16.69 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.874 -1.141 . . . . 0.0 110.172 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.93 -6.1 9.56 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.336 -0.852 . . . . 0.0 110.918 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.16 151.79 38.22 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.864 -1.148 . . . . 0.0 109.328 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -39.01 158.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.853 1.702 . . . . 0.0 111.662 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.606 ' SD ' ' CH2' ' B' ' 84' ' ' TRP . 6.3 ptm -90.47 -19.44 23.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.0 109.148 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.84 -142.14 2.59 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -109.48 37.11 2.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.775 -0.838 . . . . 0.0 109.758 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.92 149.25 74.2 Favored Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.137 -0.977 . . . . 0.0 108.556 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.51 150.27 88.93 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.272 1.981 . . . . 0.0 112.34 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 HG21 ' B' ' 45' ' ' VAL . 2.9 p -52.44 -40.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.43 0.633 . . . . 0.0 110.129 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.06 -3.98 10.19 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -81.09 -20.4 41.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.31 . . . . 0.0 108.893 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.27 138.57 58.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.297 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.95 136.74 57.17 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.542 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.51 -19.67 51.59 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.34 119.28 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.089 -1.242 . . . . 0.0 108.21 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.37 173.48 37.35 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.81 -39.97 82.75 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.353 -1.086 . . . . 0.0 110.682 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.89 -45.73 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.747 -1.221 . . . . 0.0 109.686 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.79 -38.24 86.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.863 . . . . 0.0 109.555 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -37.3 92.5 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.25 -39.99 95.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.424 -1.045 . . . . 0.0 110.551 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -67.57 -47.5 69.61 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.681 -1.262 . . . . 0.0 109.929 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.08 -39.58 86.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.944 -1.098 . . . . 0.0 108.947 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -40.3 89.12 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.699 -0.8 . . . . 0.0 108.918 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.51 -19.95 65.38 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.774 . . . . 0.0 108.945 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 37' ' ' ARG . 26.6 mtt-85 -90.39 -0.03 57.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.595 -0.69 . . . . 0.0 111.071 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.99 3.41 36.29 Favored Glycine 0 N--CA 1.504 3.175 0 O-C-N 120.974 -1.079 . . . . 0.0 111.724 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.86 73.62 1.08 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.73 -1.453 . . . . 0.0 108.226 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -81.23 -10.01 59.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.507 -0.746 . . . . 0.0 111.005 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.66 158.66 43.89 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.936 -1.102 . . . . 0.0 110.514 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.96 95.23 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -60.22 -20.06 57.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.304 -1.497 . . . . 0.0 111.423 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 t -77.96 -34.2 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.471 -1.393 . . . . 0.0 107.761 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 HG23 ' B' ' 20' ' ' VAL . 71.6 t -76.54 -36.73 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.431 HD11 ' SG ' ' B' ' 85' ' ' CYS . 57.2 tp -60.02 -38.77 83.65 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.3 -42.43 93.54 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.963 -1.316 . . . . 0.0 108.635 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.12 -40.01 88.21 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.92 -40.04 79.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.67 -24.16 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.313 -0.867 . . . . 0.0 110.273 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -89.62 12.63 16.23 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.084 -1.01 . . . . 0.0 111.591 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt 47.03 39.18 7.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.548 -1.345 . . . . 0.0 110.53 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 59.27 19.97 8.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.462 -0.773 . . . . 0.0 111.128 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.51 104.51 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.483 -1.386 . . . . 0.0 108.297 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.56 -40.35 95.41 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -0.911 . . . . 0.0 112.252 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 47.7 m-20 -67.08 -39.91 86.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.539 -1.351 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.99 -38.86 72.71 Favored 'General case' 0 C--N 1.292 -1.917 0 C-N-CA 119.269 -0.973 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -63.88 -49.29 73.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.423 -0.798 . . . . 0.0 109.767 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 84.2 mtm180 -60.11 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 0.0 110.946 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.91 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.655 -1.278 . . . . 0.0 109.155 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.7 t90 -64.27 -48.09 77.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 111.431 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.57 -48.08 65.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.017 -1.052 . . . . 0.0 110.698 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.97 -47.13 84.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 27.3 t0 -68.85 -28.74 66.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.534 -0.729 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 44.8 m -79.83 -35.11 38.81 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.341 -0.849 . . . . 0.0 111.104 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.9 p -131.76 -31.59 1.53 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.693 -1.254 . . . . 0.0 111.865 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.01 15.26 13.12 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.49 152.77 2.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.954 -1.321 . . . . 0.0 109.418 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -90.24 171.93 9.15 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.047 -1.033 . . . . 0.0 109.854 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.09 73.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.602 -0.686 . . . . 0.0 110.65 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -70.2 -41.23 73.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.838 -1.164 . . . . 0.0 109.876 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.52 -39.44 88.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.353 -0.842 . . . . 0.0 110.62 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.7 p -65.3 -38.5 90.42 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.237 -0.914 . . . . 0.0 110.259 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.11 -38.79 84.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.888 -1.132 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.75 -38.69 83.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.625 -1.297 . . . . 0.0 110.485 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.06 -39.99 82.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.907 -1.121 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -59.8 -59.71 5.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.449 -1.407 . . . . 0.0 110.154 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.99 -32.97 77.04 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.3 -49.97 50.96 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.025 -1.279 . . . . 0.0 109.722 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.58 -40.5 73.24 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.032 -1.067 . . . . 0.0 109.612 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -61.76 -40.92 96.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 110.188 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 97.0 mt-10 -70.48 -37.66 74.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.0 110.658 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -62.31 -45.29 93.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.476 -1.39 . . . . 0.0 109.033 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 89' ' ' LEU . 63.2 m -61.08 -40.0 92.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.761 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.49 -31.12 67.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.22 -31.64 14.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.126 -0.984 . . . . 0.0 110.609 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 76.8 m-85 -110.67 -8.44 14.59 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.326 -0.859 . . . . 0.0 113.297 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' CYS . 14.3 tp . . . . . 0 N--CA 1.503 2.204 0 O-C-N 120.413 -1.429 . . . . 0.0 109.381 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.148 0.499 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.3 p -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 109.7 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -102.39 147.75 26.33 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.4 t -77.94 169.68 17.87 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.234 -0.916 . . . . 0.0 109.196 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.81 -20.03 66.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.724 -0.61 . . . . 0.0 110.832 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.65 -39.22 93.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.934 -1.104 . . . . 0.0 109.158 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -58.09 -47.75 82.25 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 110.172 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 8' ' ' ARG . 49.0 mtt-85 -69.98 -32.15 70.22 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 121.244 -0.91 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.68 -39.94 73.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -66.37 -40.18 89.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.893 . . . . 0.0 110.024 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.94 14.85 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.993 -1.067 . . . . 0.0 109.832 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.85 -10.64 11.67 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.468 -0.77 . . . . 0.0 110.634 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.71 152.01 27.8 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 120.727 -1.233 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -42.78 159.97 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.941 1.76 . . . . 0.0 111.81 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.583 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.7 ptp -92.84 -23.65 18.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.106 -0.996 . . . . 0.0 109.357 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.5 -139.21 31.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.14 31.11 5.07 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.45 -1.029 . . . . 0.0 110.002 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.86 148.12 77.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 O-C-N 120.852 -1.155 . . . . 0.0 108.463 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.96 150.09 89.61 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.453 2.102 . . . . 0.0 113.234 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.66 -32.6 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 121.408 0.623 . . . . 0.0 110.595 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.08 -3.11 43.21 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -82.06 -18.73 42.11 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.951 -1.323 . . . . 0.0 109.042 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 81' ' ' LEU . 87.4 mt -64.58 136.34 56.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.888 . . . . 0.0 109.164 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.58 136.09 56.65 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.577 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.04 -18.27 55.95 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.26 116.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.195 -1.179 . . . . 0.0 108.198 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.8 41.39 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.61 -40.0 74.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.533 -0.98 . . . . 0.0 110.067 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.32 -43.76 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.68 -37.4 84.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -38.32 94.07 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -66.13 -39.14 89.64 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.224 -1.162 . . . . 0.0 110.905 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.27 -41.12 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.592 -1.317 . . . . 0.0 109.843 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.15 -38.47 86.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.978 -1.077 . . . . 0.0 108.195 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.92 -42.42 93.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.084 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.15 -18.95 65.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.219 -0.926 . . . . 0.0 108.893 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -89.29 -0.0 57.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.571 -0.706 . . . . 0.0 110.077 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.44 3.94 37.73 Favored Glycine 0 N--CA 1.505 3.298 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.936 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.23 75.22 1.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.786 -1.42 . . . . 0.0 109.353 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -80.31 -13.39 59.22 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.684 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 43.7 mmtm -129.39 150.78 50.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.425 -0.797 . . . . 0.0 109.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.96 95.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.5 -0.75 . . . . 0.0 111.328 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 21.1 p90 -58.88 -19.58 43.33 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.771 -1.206 . . . . 0.0 111.506 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.7 -32.64 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.432 -1.417 . . . . 0.0 107.517 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.13 -36.45 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD22 ' CE ' ' A' ' 15' ' ' MET . 38.0 tp -60.08 -37.78 80.94 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.11 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.59 -41.76 95.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.892 -1.357 . . . . 0.0 108.991 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.6 -38.32 80.54 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.75 -27.52 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.486 -0.759 . . . . 0.0 111.159 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.17 13.87 10.44 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.912 -1.117 . . . . 0.0 110.624 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.7 39.04 16.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.814 -1.179 . . . . 0.0 110.423 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.93 20.06 9.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.329 -0.857 . . . . 0.0 110.603 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.04 110.94 5.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.489 -1.382 . . . . 0.0 108.918 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.3 -40.02 96.2 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.503 -0.748 . . . . 0.0 112.702 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.25 -40.0 78.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.497 -1.377 . . . . 0.0 110.993 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.17 -38.76 75.49 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.035 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.1 -47.43 80.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.295 -0.878 . . . . 0.0 109.8 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.53 HH12 HH22 ' A' ' 75' ' ' ARG . 57.2 mtp180 -60.01 -47.42 85.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.254 -0.904 . . . . 0.0 110.959 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.36 -37.05 85.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.725 -1.234 . . . . 0.0 109.193 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -61.8 -49.94 74.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 111.644 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.77 -46.66 71.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -62.54 -49.38 75.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 110.715 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -69.7 -25.05 63.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 0.0 109.615 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -78.78 -36.51 42.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 110.726 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.61 -29.6 1.52 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.72 -1.238 . . . . 0.0 111.836 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.3 15.82 12.04 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.21 154.62 2.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.983 -1.304 . . . . 0.0 109.246 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.69 168.88 12.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.114 -0.991 . . . . 0.0 109.747 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.26 70.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.455 -0.778 . . . . 0.0 110.702 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -71.59 -41.58 68.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.757 -1.215 . . . . 0.0 110.538 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 94.5 mm-40 -66.98 -37.81 84.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.254 -0.903 . . . . 0.0 110.439 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.61 -38.72 90.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 110.143 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.53 HH22 HH12 ' A' ' 60' ' ' ARG . 54.0 mtt-85 -60.08 -38.09 81.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.98 -1.075 . . . . 0.0 109.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.58 -39.78 80.83 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.683 -1.261 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.74 -39.9 80.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.691 -1.255 . . . . 0.0 110.178 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.82 -60.0 4.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.662 -1.274 . . . . 0.0 110.236 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.23 -32.33 76.27 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.9 t -69.43 -47.34 64.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -1.2 . . . . 0.0 109.861 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 23' ' ' LEU . 79.2 mt -70.76 -40.08 72.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.714 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -63.11 -39.95 96.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.117 -0.989 . . . . 0.0 109.985 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.04 -38.87 75.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.186 -0.946 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.616 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 87.1 t90 -62.63 -44.56 95.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.56 -1.337 . . . . 0.0 109.163 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -40.05 88.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 109.287 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.67 -29.23 66.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.36 -0.838 . . . . 0.0 109.473 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.2 12.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.0 111.293 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.616 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.8 m-85 -112.3 -9.1 13.91 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.503 2.212 0 O-C-N 120.203 -1.56 . . . . 0.0 109.349 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 52.9 p -62.8 -40.93 98.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.73 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -102.57 147.7 26.46 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -0.837 . . . . 0.0 109.297 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.6 t -77.87 169.31 18.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.336 -0.853 . . . . 0.0 109.215 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -65.54 -20.02 66.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.596 -0.69 . . . . 0.0 110.865 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.63 -39.09 93.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.891 -1.131 . . . . 0.0 109.13 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -58.36 -47.55 83.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 110.071 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' B' ' 8' ' ' ARG . 49.7 mtt-85 -69.97 -32.19 70.28 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.73 -40.05 73.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.23 -40.24 90.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.026 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.03 15.14 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.082 -1.012 . . . . 0.0 109.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.96 -10.85 11.56 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.419 -0.8 . . . . 0.0 110.637 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.63 152.15 28.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.825 -1.172 . . . . 0.0 109.671 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.82 159.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.932 1.755 . . . . 0.0 111.771 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.579 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.4 ptp -92.97 -23.46 18.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.22 30.92 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.04 31.22 4.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.436 -1.038 . . . . 0.0 109.974 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -59.85 148.0 77.52 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 120.839 -1.163 . . . . 0.0 108.533 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.99 150.05 89.78 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 122.505 2.136 . . . . 0.0 113.273 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.69 -32.48 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.412 0.625 . . . . 0.0 110.577 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.15 44.08 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 -18.94 41.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.911 -1.347 . . . . 0.0 109.017 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 81' ' ' LEU . 86.6 mt -64.4 136.48 57.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.267 -0.896 . . . . 0.0 109.258 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 135.98 56.43 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.766 -0.774 . . . . 0.0 109.675 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.12 -18.45 55.61 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -98.0 116.78 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.172 -1.193 . . . . 0.0 108.183 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.92 171.84 41.45 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.83 -39.92 75.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -1.076 . . . . 0.0 110.082 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.32 -43.76 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.028 -1.045 . . . . 0.0 109.596 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.329 -0.857 . . . . 0.0 109.684 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.45 94.03 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.11 -39.11 89.68 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -1.168 . . . . 0.0 110.81 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.12 -41.19 82.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.479 -1.388 . . . . 0.0 109.883 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.14 -38.43 86.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 108.213 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.09 -42.46 94.71 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.033 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.06 -19.12 65.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 108.892 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.18 0.16 56.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.649 -0.657 . . . . 0.0 110.061 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.23 3.97 38.32 Favored Glycine 0 N--CA 1.504 3.212 0 O-C-N 121.155 -0.966 . . . . 0.0 111.861 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -104.13 75.38 1.26 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.828 -1.395 . . . . 0.0 109.274 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -80.68 -13.2 59.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.8 . . . . 0.0 109.622 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.406 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 43.7 mmtm -129.49 150.91 50.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.95 95.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.595 -0.691 . . . . 0.0 111.216 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 21.7 p90 -58.96 -19.64 44.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.745 -1.222 . . . . 0.0 111.422 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.6 -32.61 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.426 -1.421 . . . . 0.0 107.597 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.05 -36.39 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.579 HD22 ' CE ' ' B' ' 15' ' ' MET . 38.1 tp -59.96 -38.04 81.34 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.4 98.32 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.32 -41.83 94.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.985 -1.303 . . . . 0.0 108.987 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.52 -38.44 80.89 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.7 -27.51 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.477 -0.764 . . . . 0.0 111.166 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.18 14.04 10.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.95 -1.093 . . . . 0.0 110.59 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 49.62 38.96 16.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.711 -1.243 . . . . 0.0 110.503 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 59.96 19.9 8.95 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.41 -0.806 . . . . 0.0 110.643 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.87 110.96 5.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.587 -1.32 . . . . 0.0 108.924 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.38 -40.03 96.12 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 112.661 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.446 -1.409 . . . . 0.0 110.914 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.988 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -64.16 -47.53 79.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.732 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.512 HH12 HH22 ' B' ' 75' ' ' ARG . 56.9 mtp180 -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.198 -0.939 . . . . 0.0 111.001 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.27 -36.89 85.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.777 -1.202 . . . . 0.0 109.28 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -61.87 -49.94 74.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 111.64 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.7 -46.73 71.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.011 -1.055 . . . . 0.0 110.627 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -62.43 -49.47 75.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.136 -0.978 . . . . 0.0 110.739 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.62 -24.98 63.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.0 109.678 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -78.84 -36.71 42.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.178 -0.951 . . . . 0.0 110.774 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -132.4 -29.82 1.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.716 -1.24 . . . . 0.0 111.782 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.45 16.08 11.53 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.29 154.64 2.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.272 . . . . 0.0 109.218 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -88.68 168.99 12.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.056 -1.028 . . . . 0.0 109.811 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.98 70.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.551 -0.718 . . . . 0.0 110.641 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.75 -41.66 68.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.68 -1.262 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 94.3 mm-40 -66.92 -37.66 84.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.207 -0.933 . . . . 0.0 110.548 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 -38.71 90.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.512 HH22 HH12 ' B' ' 60' ' ' ARG . 54.4 mtt-85 -60.08 -37.97 81.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.93 -1.106 . . . . 0.0 109.94 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.78 -39.72 80.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.666 -1.271 . . . . 0.0 110.821 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.84 -39.95 79.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.199 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.95 -59.93 4.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.747 -1.221 . . . . 0.0 110.215 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.38 76.21 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.43 -47.41 64.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.159 -1.201 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.475 HD21 HD22 ' B' ' 23' ' ' LEU . 79.6 mt -70.71 -39.93 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.11 -0.994 . . . . 0.0 109.757 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -63.18 -40.02 96.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.209 -0.932 . . . . 0.0 110.003 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -69.94 -39.06 76.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 0.0 110.597 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.628 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 87.2 t90 -62.58 -44.55 96.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.591 -1.318 . . . . 0.0 109.167 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 91.9 m -60.28 -39.97 88.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.435 -0.791 . . . . 0.0 109.371 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -58.67 -29.25 66.44 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.291 -0.88 . . . . 0.0 109.489 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 -35.28 12.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.211 -0.931 . . . . 0.0 111.229 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.628 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.6 m-85 -112.1 -9.55 13.95 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.504 2.266 0 O-C-N 120.213 -1.554 . . . . 0.0 109.355 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 m 50.02 49.9 19.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 0.0 109.685 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -75.18 165.76 24.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.183 -0.948 . . . . 0.0 110.013 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -70.71 157.92 37.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.673 0.749 . . . . 0.0 109.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.81 -21.45 63.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.687 -0.633 . . . . 0.0 109.991 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.95 -36.81 80.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.027 -1.046 . . . . 0.0 109.159 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 68.3 t60 -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.877 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.05 -32.11 70.06 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.183 -0.948 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.39 -39.93 74.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 110.557 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -69.57 -40.08 76.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.987 . . . . 0.0 110.392 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.8 14.05 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.98 -1.075 . . . . 0.0 110.244 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.55 -7.21 10.64 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.309 -0.869 . . . . 0.0 110.937 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.33 153.7 29.69 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 120.67 -1.269 . . . . 0.0 109.392 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.29 159.95 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.649 1.566 . . . . 0.0 111.377 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.4 ptp -89.3 -17.53 28.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 109.636 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.47 14.84 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -104.92 30.25 5.67 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.595 -0.944 . . . . 0.0 109.675 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -58.19 149.36 58.0 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.04 -1.038 . . . . 0.0 108.667 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.6 156.42 65.61 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.305 2.004 . . . . 0.0 112.281 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -53.36 -48.59 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.5 -0.75 . . . . 0.0 110.632 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.589 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.34 -4.9 0.62 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 41.2 t -82.45 -21.36 35.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.711 -1.464 . . . . 0.0 108.911 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 81' ' ' LEU . 85.1 mt -63.86 137.99 58.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 136.63 57.72 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.609 0.719 . . . . 0.0 110.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 99.55 -18.27 56.45 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.61 118.56 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.231 -1.158 . . . . 0.0 108.458 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.26 176.37 37.09 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.75 -40.01 82.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -1.185 . . . . 0.0 110.431 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.2 t -67.88 -44.79 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.857 -1.152 . . . . 0.0 109.323 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.78 -38.56 86.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.2 95.38 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.42 -40.1 96.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.262 -1.14 . . . . 0.0 110.725 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -67.2 -41.52 85.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.625 -1.297 . . . . 0.0 109.799 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.76 -39.73 94.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.003 -1.06 . . . . 0.0 108.993 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.94 -42.44 94.02 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.121 -0.631 . . . . 0.0 109.466 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.79 -19.95 66.08 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 37' ' ' ARG . 1.9 mmt-85 -90.33 0.77 57.1 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.541 -0.724 . . . . 0.0 110.902 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.84 45.76 Favored Glycine 0 N--CA 1.504 3.23 0 O-C-N 120.952 -1.093 . . . . 0.0 112.012 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -104.71 75.89 1.24 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.829 -1.395 . . . . 0.0 108.61 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -81.21 -10.04 59.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.128 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.28 157.57 46.5 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.066 -1.021 . . . . 0.0 110.318 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.83 88.35 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 12.4 p90 -61.54 -19.69 62.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.3 -1.5 . . . . 0.0 111.3 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.8 -31.14 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.359 -1.463 . . . . 0.0 107.287 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.76 -33.58 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 36.4 tp -61.76 -40.33 94.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.43 98.24 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.99 -43.33 95.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.045 -1.268 . . . . 0.0 108.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -40.01 87.92 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -39.36 81.84 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -66.96 -29.09 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.56 -0.712 . . . . 0.0 110.385 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.23 12.85 10.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.156 -0.965 . . . . 0.0 110.264 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 47.97 39.63 11.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.841 -1.162 . . . . 0.0 110.169 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.01 21.21 10.31 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.554 -0.716 . . . . 0.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.28 106.3 2.42 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.609 -1.307 . . . . 0.0 108.668 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 49.9 tp10 -65.64 -41.34 92.7 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.366 -0.834 . . . . 0.0 112.814 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.4 -39.9 81.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.591 -1.318 . . . . 0.0 109.839 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.99 -39.17 76.06 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.414 -0.914 . . . . 0.0 109.288 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.12 -45.47 88.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -0.801 . . . . 0.0 110.238 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -59.99 -46.04 90.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.872 . . . . 0.0 111.068 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.88 -37.66 87.8 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.774 -1.204 . . . . 0.0 108.489 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -62.63 -49.35 75.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.424 -0.797 . . . . 0.0 111.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.47 -45.41 76.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.983 -1.073 . . . . 0.0 110.821 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.73 -48.7 79.53 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 110.337 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -68.84 -28.17 66.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.242 -0.911 . . . . 0.0 109.823 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.485 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 95.4 m -77.63 -37.55 49.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.988 . . . . 0.0 110.744 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.9 p -132.1 -34.92 1.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.662 -1.274 . . . . 0.0 112.035 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 110.39 16.78 9.91 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.03 151.94 2.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.28 . . . . 0.0 109.447 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -89.4 168.64 12.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.056 -1.027 . . . . 0.0 110.327 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.59 73.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.66 -0.65 . . . . 0.0 110.881 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.78 -41.59 71.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.817 -1.177 . . . . 0.0 109.844 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 92.6 mm-40 -65.74 -37.67 87.0 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.815 . . . . 0.0 110.141 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.0 m -65.39 -38.33 89.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.33 -0.856 . . . . 0.0 110.491 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.96 -38.05 81.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.731 -1.231 . . . . 0.0 109.67 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -66.92 -39.94 87.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.752 -1.218 . . . . 0.0 110.787 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.5 m -67.75 -39.96 84.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.744 -1.223 . . . . 0.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CD1' ' OE1' ' A' ' 56' ' ' GLU . 25.5 t80 -58.22 -61.3 2.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.764 -1.21 . . . . 0.0 109.87 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -32.47 81.21 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.51 -49.35 60.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.08 -1.247 . . . . 0.0 110.252 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 23' ' ' LEU . 84.1 mt -69.99 -40.04 75.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.16 -40.57 90.35 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 110.761 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.536 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 91.9 mt-10 -70.02 -36.59 75.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.103 -0.998 . . . . 0.0 110.999 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.1 t90 -60.04 -41.28 91.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.64 -1.287 . . . . 0.0 108.792 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.2 m -61.78 -39.94 93.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.526 -0.734 . . . . 0.0 109.723 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.0 109.871 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.32 -37.63 18.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.172 -0.955 . . . . 0.0 110.555 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -106.45 -86.48 0.48 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -178.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.405 -179.213 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m 49.98 49.99 19.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -75.35 165.55 24.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.914 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -70.5 157.62 37.53 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.691 0.758 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.54 -21.47 62.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.704 -0.623 . . . . 0.0 110.101 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.12 -36.55 80.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 109.158 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.539 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 67.7 t60 -57.54 -47.4 82.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.266 -0.896 . . . . 0.0 109.8 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -69.96 -32.14 70.23 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.209 -0.932 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.41 -39.92 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 110.529 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.57 -39.98 77.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 0.0 110.513 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.8 m -82.74 13.9 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.933 -1.105 . . . . 0.0 110.247 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.54 -7.04 10.66 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.341 -0.85 . . . . 0.0 110.864 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.48 153.56 29.32 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.771 -1.206 . . . . 0.0 109.412 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 160.01 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.738 1.625 . . . . 0.0 111.314 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.634 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -89.41 -17.47 28.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.981 -1.075 . . . . 0.0 109.618 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.93 -141.36 15.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -105.05 30.55 5.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.523 -0.987 . . . . 0.0 109.609 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.44 149.38 60.63 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.072 -1.018 . . . . 0.0 108.658 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.53 156.37 65.81 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.275 1.983 . . . . 0.0 112.367 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.588 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -53.31 -48.65 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.549 -0.719 . . . . 0.0 110.641 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.588 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.3 -5.04 0.63 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.411 ' H ' ' C ' ' B' ' 20' ' ' VAL . 41.1 t -82.25 -21.45 36.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.696 -1.473 . . . . 0.0 108.931 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.406 HD22 HD21 ' B' ' 81' ' ' LEU . 85.1 mt -63.71 137.78 58.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.869 . . . . 0.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.3 136.81 57.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.629 0.728 . . . . 0.0 109.993 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.423 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 99.45 -18.47 56.28 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -99.42 118.42 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.172 -1.193 . . . . 0.0 108.557 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 176.43 37.48 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.88 -40.0 83.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -1.083 . . . . 0.0 110.443 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.85 -44.72 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.842 -1.161 . . . . 0.0 109.405 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.86 -38.41 86.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 0.0 109.402 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.45 95.72 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.15 -40.03 96.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.292 -1.122 . . . . 0.0 110.89 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.3 -41.42 85.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.628 -1.295 . . . . 0.0 109.822 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.88 -39.76 94.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.963 -1.086 . . . . 0.0 108.978 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -42.25 93.78 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.549 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -65.97 -19.81 65.99 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.9 mmt-85 -90.31 0.7 57.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.498 -0.751 . . . . 0.0 110.948 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.88 3.69 45.66 Favored Glycine 0 N--CA 1.505 3.26 0 O-C-N 120.953 -1.092 . . . . 0.0 112.024 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.62 75.97 1.26 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.798 -1.413 . . . . 0.0 108.61 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -81.09 -9.99 59.73 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -136.39 157.52 46.6 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.217 -0.927 . . . . 0.0 110.259 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.02 88.84 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' B' ' 43' ' ' TYR . 12.5 p90 -61.39 -19.59 62.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.296 -1.503 . . . . 0.0 111.377 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.83 -31.25 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.67 -33.62 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.634 HD22 ' CE ' ' B' ' 15' ' ' MET . 36.5 tp -61.72 -40.27 94.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.29 98.3 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.23 -43.21 96.25 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.992 -1.299 . . . . 0.0 108.645 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.96 -40.01 87.56 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.53 -39.11 81.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.11 -29.05 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.526 -0.734 . . . . 0.0 110.358 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -87.22 12.66 11.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.175 -0.953 . . . . 0.0 110.277 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt 48.25 39.49 12.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.844 -1.16 . . . . 0.0 110.134 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 60.04 21.26 10.41 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.526 -0.734 . . . . 0.0 110.466 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.18 106.04 2.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.645 -1.285 . . . . 0.0 108.783 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' B' ' 78' ' ' PHE . 49.9 tp10 -65.59 -41.17 93.13 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.333 -0.854 . . . . 0.0 112.752 -178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.52 -39.99 80.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.584 -1.322 . . . . 0.0 109.823 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.97 -39.27 76.07 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.26 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.99 -45.5 88.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -59.9 -46.06 90.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.189 -0.944 . . . . 0.0 111.164 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -62.82 -37.8 88.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.697 -1.252 . . . . 0.0 108.524 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.419 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.4 t90 -62.56 -49.33 75.72 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.469 -0.77 . . . . 0.0 111.449 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.67 -45.23 75.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.938 -1.101 . . . . 0.0 110.727 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.79 -48.71 79.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.016 -1.053 . . . . 0.0 110.321 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.78 -28.3 66.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.873 . . . . 0.0 109.817 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.472 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 94.9 m -77.57 -37.66 50.07 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.17 -0.956 . . . . 0.0 110.714 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.7 p -132.1 -34.71 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.731 -1.231 . . . . 0.0 112.09 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 110.27 16.66 10.14 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.86 151.96 2.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.131 -1.217 . . . . 0.0 109.335 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -89.53 168.9 11.81 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.027 -1.046 . . . . 0.0 110.318 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.64 74.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.637 -0.664 . . . . 0.0 110.871 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.82 -41.47 71.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.837 -1.164 . . . . 0.0 109.816 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 92.2 mm-40 -65.84 -37.62 86.69 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.383 -0.823 . . . . 0.0 110.125 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -65.28 -38.48 90.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -38.12 81.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.665 -1.272 . . . . 0.0 109.583 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.77 -40.01 88.04 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.677 -1.264 . . . . 0.0 110.77 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.71 -40.0 84.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.773 -1.204 . . . . 0.0 110.181 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' B' ' 56' ' ' GLU . 25.5 t80 -58.14 -61.3 2.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.779 -1.201 . . . . 0.0 109.888 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -32.7 81.81 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.279 -0.962 . . . . 0.0 110.753 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.7 t -68.43 -49.3 60.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.021 -1.282 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.406 HD21 HD22 ' B' ' 23' ' ' LEU . 83.9 mt -70.06 -40.01 75.33 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.466 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -60.21 -40.55 90.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.282 -0.886 . . . . 0.0 110.697 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.539 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.1 mt-10 -69.97 -36.64 75.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.601 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.0 t90 -59.98 -41.39 91.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.658 -1.277 . . . . 0.0 108.764 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.7 m -61.6 -40.07 93.48 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 109.708 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.92 -33.14 71.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -0.859 . . . . 0.0 109.893 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.35 -37.33 18.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 0.0 110.689 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.601 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.7 m-85 -106.65 -86.4 0.49 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.274 -0.891 . . . . 0.0 110.967 -178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.063 -1.023 . . . . 0.0 109.501 -179.256 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.107 0.48 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.2 p -75.6 152.09 37.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.944 -1.097 . . . . 0.0 109.433 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -76.02 160.58 29.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.863 . . . . 0.0 110.188 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -80.71 171.32 15.17 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.731 0.777 . . . . 0.0 109.434 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.82 -23.91 65.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.614 -0.679 . . . . 0.0 110.621 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.31 -38.39 89.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.066 . . . . 0.0 109.951 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.27 -50.0 75.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.982 -1.074 . . . . 0.0 110.415 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.89 -32.2 70.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.033 -1.042 . . . . 0.0 110.231 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.04 -38.88 75.97 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.203 -0.936 . . . . 0.0 110.0 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.49 -42.53 87.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.644 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.68 15.23 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.062 -1.024 . . . . 0.0 109.934 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.35 -9.12 11.57 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.446 -0.783 . . . . 0.0 110.553 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.26 150.28 26.72 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 120.872 -1.143 . . . . 0.0 109.356 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.14 159.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 121.54 1.494 . . . . 0.0 111.153 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.513 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -91.02 -21.76 21.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.972 -1.08 . . . . 0.0 109.822 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.64 -139.01 32.43 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.29 32.87 4.15 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.499 -1.001 . . . . 0.0 110.031 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -60.13 149.58 74.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.026 -1.046 . . . . 0.0 109.243 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.17 152.95 80.54 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.475 2.117 . . . . 0.0 112.505 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.9 p -52.49 -44.13 43.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.535 -0.728 . . . . 0.0 110.104 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.57 -3.05 2.75 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 p -80.83 -26.79 36.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.326 . . . . 0.0 108.833 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.69 138.2 58.1 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.77 0.795 . . . . 0.0 109.534 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.97 135.99 56.3 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.454 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . 100.75 -20.19 49.1 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.16 119.75 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.81 177.6 37.24 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.652 -1.28 . . . . 0.0 110.005 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.72 -39.98 82.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.425 -1.044 . . . . 0.0 110.47 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.38 -44.51 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 109.214 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.71 -38.75 84.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.367 -0.833 . . . . 0.0 109.444 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.91 96.29 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.35 -39.95 94.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.444 -1.033 . . . . 0.0 110.389 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.43 -46.7 82.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.705 -1.247 . . . . 0.0 110.216 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.03 -36.51 77.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 109.12 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -41.56 92.16 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.958 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.83 -19.78 66.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.976 . . . . 0.0 109.313 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.66 5.82 46.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.346 -0.846 . . . . 0.0 110.26 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.78 8.63 55.57 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.9 -1.125 . . . . 0.0 111.536 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.73 73.36 1.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.962 -1.316 . . . . 0.0 108.981 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.74 -12.5 57.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 110.187 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.79 150.28 51.16 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.299 -0.875 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.09 95.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.644 -0.66 . . . . 0.0 111.359 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -59.34 -19.65 48.32 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.6 -1.312 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.8 t -79.16 -34.19 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.643 -1.286 . . . . 0.0 107.866 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.59 -34.39 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.7 tp -60.51 -38.01 82.98 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.2 97.84 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.95 95.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.271 . . . . 0.0 108.707 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.64 -37.87 80.04 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.6 -26.08 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.475 -0.766 . . . . 0.0 110.502 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -90.61 13.94 14.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.908 -1.12 . . . . 0.0 110.922 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.61 38.56 11.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.506 -1.371 . . . . 0.0 110.273 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 60.02 20.0 9.14 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.433 -0.792 . . . . 0.0 110.875 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.2 109.18 3.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.579 -1.326 . . . . 0.0 108.405 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 88.4 tt0 -64.8 -40.39 95.15 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.4 -0.812 . . . . 0.0 112.58 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -68.82 -39.86 79.81 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.789 -1.194 . . . . 0.0 110.169 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.95 -38.0 76.01 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.315 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -64.2 -46.07 85.53 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.173 -0.954 . . . . 0.0 109.927 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.619 ' NH2' ' NH1' ' A' ' 75' ' ' ARG . 96.7 mtt180 -60.02 -47.67 84.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 0.0 111.279 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.84 -36.96 85.62 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.499 -1.375 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.422 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.0 t90 -64.68 -47.72 77.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.118 -0.989 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.02 -51.71 36.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.07 -1.019 . . . . 0.0 110.61 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.1 ttmp? -60.2 -48.48 81.54 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 110.014 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.03 -27.49 66.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.535 -0.728 . . . . 0.0 109.974 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.7 m -80.7 -29.57 36.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.914 . . . . 0.0 110.883 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 p -132.68 -31.21 1.37 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.672 -1.268 . . . . 0.0 111.927 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 103.88 15.69 21.51 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 152.97 3.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.439 -1.036 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.17 168.78 12.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.52 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.57 70.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.531 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -70.77 -40.7 72.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.705 -1.247 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 25' ' ' GLY . 98.0 mm-40 -67.69 -37.68 82.64 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.218 -0.926 . . . . 0.0 110.59 -178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.8 p -66.5 -38.39 87.15 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.136 -0.977 . . . . 0.0 110.138 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.619 ' NH1' ' NH2' ' A' ' 60' ' ' ARG . 50.4 mtt-85 -60.07 -38.72 83.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.89 -1.132 . . . . 0.0 110.211 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -67.6 -39.87 84.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.645 -1.285 . . . . 0.0 111.031 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.17 -39.98 78.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.807 -1.183 . . . . 0.0 110.21 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.5 -60.95 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.708 -1.245 . . . . 0.0 110.123 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -31.84 73.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.88 -49.23 54.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.264 -1.139 . . . . 0.0 110.143 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.08 -40.14 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.933 -1.104 . . . . 0.0 109.638 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.2 -40.29 95.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.003 . . . . 0.0 110.288 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.08 -38.76 75.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.6 t90 -62.54 -44.09 97.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.461 -1.399 . . . . 0.0 108.892 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.36 -40.74 95.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.0 109.994 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.38 -28.23 66.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.116 -0.99 . . . . 0.0 109.338 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.55 -34.78 12.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.261 -0.9 . . . . 0.0 110.926 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.9 m-85 -112.93 -10.11 13.56 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.382 0 O-C-N 120.269 -1.52 . . . . 0.0 109.337 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 44.5 p -75.56 152.11 37.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -76.1 160.46 29.75 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 110.247 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -80.53 171.39 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.757 0.789 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.89 -23.89 65.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.587 -0.696 . . . . 0.0 110.691 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.22 -38.5 89.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.947 -1.096 . . . . 0.0 110.033 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -58.11 -49.95 75.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.943 -1.098 . . . . 0.0 110.438 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.09 -31.99 69.82 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.029 -1.044 . . . . 0.0 110.239 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -70.22 -38.89 75.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.265 -0.897 . . . . 0.0 109.901 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -66.41 -42.55 87.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.595 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.79 15.38 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.073 -1.017 . . . . 0.0 109.984 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.38 -9.26 11.53 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.414 -0.804 . . . . 0.0 110.466 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -151.1 150.38 27.24 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.848 -1.157 . . . . 0.0 109.449 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -43.21 159.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 121.556 1.504 . . . . 0.0 111.031 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.511 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -91.01 -21.71 21.14 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.021 -1.05 . . . . 0.0 109.827 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.47 -139.04 31.63 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -106.15 32.78 4.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.483 -1.01 . . . . 0.0 110.105 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.15 149.62 74.38 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.006 . . . . 0.0 109.345 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.22 153.03 80.19 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.45 2.1 . . . . 0.0 112.464 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.9 p -52.49 -44.17 43.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.628 -0.67 . . . . 0.0 110.104 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.63 -2.84 2.65 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.6 p -81.13 -26.85 35.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.881 -1.364 . . . . 0.0 108.823 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.69 138.16 58.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.793 0.806 . . . . 0.0 109.53 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.64 55.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.632 0.729 . . . . 0.0 109.543 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLN . . . 100.89 -20.2 48.88 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -100.02 119.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.98 177.42 36.86 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 120.676 -1.265 . . . . 0.0 109.959 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.66 -40.08 82.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -1.08 . . . . 0.0 110.479 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.14 -44.65 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.323 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.72 -38.71 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.81 96.16 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -64.54 -39.82 94.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -1.053 . . . . 0.0 110.494 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.46 -46.59 82.42 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.731 -1.23 . . . . 0.0 110.202 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.07 -36.47 77.43 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.15 -0.969 . . . . 0.0 109.114 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.99 -41.65 92.48 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.98 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.78 -19.78 66.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.236 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.97 6.24 45.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.412 -0.805 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.59 8.59 55.88 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 120.847 -1.158 . . . . 0.0 111.514 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.74 73.53 1.09 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.907 -1.349 . . . . 0.0 108.985 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -83.01 -12.3 57.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.286 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -129.9 150.17 51.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.282 -0.886 . . . . 0.0 109.939 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.01 95.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.724 -0.61 . . . . 0.0 111.381 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -59.31 -19.83 49.53 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.593 -1.317 . . . . 0.0 111.198 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.12 -34.01 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.629 -1.294 . . . . 0.0 107.835 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -77.72 -34.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.511 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.9 tp -60.33 -38.06 82.59 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.91 -41.33 97.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -42.9 95.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.972 -1.31 . . . . 0.0 108.668 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.99 -40.2 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.53 -38.19 80.64 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.36 -26.01 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.496 -0.753 . . . . 0.0 110.553 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.7 14.13 14.25 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.857 -1.152 . . . . 0.0 110.938 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.42 38.6 11.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.57 -1.331 . . . . 0.0 110.274 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 59.9 20.05 9.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.511 -0.743 . . . . 0.0 110.894 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.22 109.15 3.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.57 -1.331 . . . . 0.0 108.365 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.553 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 88.4 tt0 -64.72 -40.69 95.77 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.324 -0.86 . . . . 0.0 112.569 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.58 -39.85 80.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.862 -1.149 . . . . 0.0 110.153 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.0 -37.71 75.76 Favored 'General case' 0 C--N 1.289 -2.057 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.419 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.31 -46.16 84.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.183 -0.948 . . . . 0.0 109.901 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.626 ' NH2' ' NH1' ' B' ' 75' ' ' ARG . 96.7 mtt180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 111.251 -178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.57 -36.9 85.31 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.527 -1.358 . . . . 0.0 108.634 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -64.87 -47.49 77.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.162 -0.961 . . . . 0.0 110.968 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.2 -51.8 34.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.578 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' B' ' 68' ' ' GLY . 3.1 ttmp? -60.04 -48.4 81.86 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.39 -0.819 . . . . 0.0 110.098 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.11 -27.52 66.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.49 -0.756 . . . . 0.0 109.967 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -80.61 -29.7 36.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.879 . . . . 0.0 110.934 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.0 p -132.49 -31.29 1.4 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.76 -1.213 . . . . 0.0 112.026 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 103.94 15.74 21.24 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.41 153.0 3.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.352 -1.087 . . . . 0.0 109.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -88.13 168.86 12.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.193 -0.942 . . . . 0.0 109.539 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.26 70.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 110.54 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -71.13 -40.7 71.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.72 -1.238 . . . . 0.0 110.164 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 25' ' ' GLY . 98.0 mm-40 -67.64 -37.6 82.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.895 . . . . 0.0 110.528 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 95.3 p -66.64 -38.21 86.42 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.626 ' NH1' ' NH2' ' B' ' 60' ' ' ARG . 50.9 mtt-85 -60.25 -38.63 84.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.875 -1.141 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.82 -39.95 83.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.636 -1.29 . . . . 0.0 110.808 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 91.3 m -69.05 -39.95 78.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.915 -1.116 . . . . 0.0 110.175 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -58.65 -60.72 3.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.617 -1.302 . . . . 0.0 110.11 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.1 -31.88 74.3 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.85 -49.19 54.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.257 -1.143 . . . . 0.0 110.165 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.21 -39.99 74.82 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.579 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.37 -40.24 95.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.221 -0.924 . . . . 0.0 110.271 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.02 -38.84 76.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.13 -0.981 . . . . 0.0 111.109 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -62.63 -43.89 97.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.429 -1.419 . . . . 0.0 108.949 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.9 m -61.5 -40.68 95.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.427 -0.796 . . . . 0.0 109.937 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -59.46 -28.12 66.7 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.056 . . . . 0.0 109.432 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.56 -34.95 12.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 0.0 110.914 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.1 m-85 -112.82 -10.34 13.58 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.507 2.384 0 O-C-N 120.149 -1.595 . . . . 0.0 109.38 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.42 34.99 2.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.42 -0.8 . . . . 0.0 109.575 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.4 p -70.17 160.48 32.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 109.277 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.8 p -72.15 166.25 22.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.248 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.03 -27.69 67.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.725 -0.609 . . . . 0.0 110.433 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 9.9 mtpm? -60.03 -37.65 80.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.041 -1.037 . . . . 0.0 109.382 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -59.99 -48.14 82.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.954 -1.091 . . . . 0.0 110.771 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.91 -34.54 73.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.852 -1.155 . . . . 0.0 109.71 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.81 -39.58 93.81 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.135 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -62.65 -49.89 73.37 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.733 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.73 7.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.873 -1.142 . . . . 0.0 111.274 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 -18.84 17.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.62 154.22 28.97 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.993 -1.067 . . . . 0.0 109.415 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -39.19 160.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.031 1.821 . . . . 0.0 111.676 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.612 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.9 ptp -90.28 -23.01 21.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.107 -0.995 . . . . 0.0 110.328 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.15 -142.54 13.61 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.5 28.28 6.13 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -1.042 . . . . 0.0 110.222 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -60.07 150.59 69.74 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.909 -1.12 . . . . 0.0 108.584 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.7 154.05 75.49 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.215 1.943 . . . . 0.0 113.015 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.14 -45.27 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.453 0.644 . . . . 0.0 109.996 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.533 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.63 -3.28 0.41 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.8 t -81.48 -19.78 41.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.969 -1.312 . . . . 0.0 108.561 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.81 135.29 57.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.441 -0.787 . . . . 0.0 109.478 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.64 53.56 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.411 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.33 -19.78 47.17 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.97 116.69 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.181 -1.188 . . . . 0.0 108.035 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.52 171.38 39.81 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.28 -39.98 76.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -1.131 . . . . 0.0 110.854 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.9 -41.63 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.7 -1.25 . . . . 0.0 109.655 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.93 -39.16 83.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.235 -0.915 . . . . 0.0 109.617 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.99 96.41 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.48 -39.92 89.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.354 -1.086 . . . . 0.0 110.292 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.1 -42.77 93.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.707 -1.245 . . . . 0.0 109.934 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -40.0 95.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.052 -1.03 . . . . 0.0 109.85 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.06 -39.97 87.84 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.506 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.7 -18.48 63.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 108.702 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 37' ' ' ARG . 24.3 mmt-85 -88.98 -0.48 57.45 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.623 -0.673 . . . . 0.0 110.039 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 3.08 35.46 Favored Glycine 0 N--CA 1.506 3.363 0 O-C-N 121.131 -0.981 . . . . 0.0 112.052 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.48 75.23 1.32 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.823 -1.398 . . . . 0.0 109.117 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.26 59.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.42 -0.8 . . . . 0.0 110.817 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 32.4 mmtp -131.04 153.0 49.74 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.02 94.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 111.584 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p90 -58.11 -18.52 25.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.698 -1.251 . . . . 0.0 111.193 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.9 -32.54 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.484 -1.385 . . . . 0.0 108.214 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.0 -35.55 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 15' ' ' MET . 25.9 tp -59.96 -39.0 84.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.36 96.82 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.079 -1.248 . . . . 0.0 108.628 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.66 -38.81 80.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.08 -29.69 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.451 -0.781 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.96 13.76 8.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.025 -1.047 . . . . 0.0 110.13 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 48.67 39.02 12.67 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.696 -1.252 . . . . 0.0 109.889 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 59.98 20.44 9.51 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.561 -0.712 . . . . 0.0 110.12 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.9 108.0 3.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.631 -1.293 . . . . 0.0 108.437 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -63.52 -40.01 95.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.334 -0.854 . . . . 0.0 112.697 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.614 -1.304 . . . . 0.0 110.579 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.06 -38.74 75.85 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.228 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.19 -48.07 77.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 109.263 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -59.97 -48.22 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.435 -0.791 . . . . 0.0 110.557 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.57 -39.29 94.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.859 -1.151 . . . . 0.0 108.816 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -66.42 -43.99 84.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.175 -0.953 . . . . 0.0 110.537 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.44 -46.19 70.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.82 -48.09 82.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.085 -1.009 . . . . 0.0 110.402 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.02 -25.55 63.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 109.772 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -78.67 -36.87 43.09 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 0.0 111.541 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -132.57 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.439 -1.413 . . . . 0.0 112.118 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.91 13.76 22.77 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.11 155.13 2.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.051 -1.264 . . . . 0.0 109.352 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 171.02 9.4 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.086 -1.009 . . . . 0.0 109.762 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 110.711 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.11 -41.76 70.14 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.832 -1.168 . . . . 0.0 109.85 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.32 -35.24 79.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.34 -0.85 . . . . 0.0 110.415 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.119 -0.988 . . . . 0.0 109.997 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -59.95 -37.81 80.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.936 -1.103 . . . . 0.0 109.764 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.14 -39.78 82.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.741 -1.225 . . . . 0.0 110.772 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.1 m -69.78 -40.05 76.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.678 -1.263 . . . . 0.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.11 -60.1 4.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.76 -1.212 . . . . 0.0 110.164 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.22 -32.47 76.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.59 -48.83 63.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -1.224 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.74 -40.11 72.93 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.492 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.98 -43.16 99.57 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.05 -38.59 75.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 110.339 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.622 ' NE1' ' CD2' ' A' ' 88' ' ' PHE . 86.6 t90 -60.82 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.399 -1.438 . . . . 0.0 108.579 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 69.9 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 109.636 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.18 -32.01 70.67 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.504 -0.747 . . . . 0.0 110.574 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.19 -35.9 11.68 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.935 -1.103 . . . . 0.0 111.465 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD2' ' NE1' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.31 -14.39 15.8 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.21 -0.931 . . . . 0.0 113.118 -176.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.504 2.258 0 O-C-N 120.379 -1.451 . . . . 0.0 108.974 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -135.34 34.87 3.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.412 -0.805 . . . . 0.0 109.6 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -70.09 160.42 32.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.349 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.3 p -71.98 166.27 22.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.217 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.805 -0.559 . . . . 0.0 110.391 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' B' ' 22' ' ' SER . 9.9 mtpm? -59.99 -37.73 80.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 109.312 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.98 -48.11 83.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.058 . . . . 0.0 110.822 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -70.01 -34.43 73.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.094 . . . . 0.0 109.713 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.394 -0.816 . . . . 0.0 109.103 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -62.81 -49.82 73.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.432 -0.793 . . . . 0.0 110.695 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.65 7.22 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.95 -18.65 17.72 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.005 -1.06 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.76 154.16 28.71 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.961 -1.087 . . . . 0.0 109.397 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.13 160.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.046 1.831 . . . . 0.0 111.649 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.614 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.3 ptp -90.08 -23.03 21.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.026 -1.046 . . . . 0.0 110.161 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.22 -142.3 14.43 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.7 28.3 6.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.421 -1.046 . . . . 0.0 110.222 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.97 150.61 68.76 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.078 -1.014 . . . . 0.0 108.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 154.1 75.32 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.291 1.994 . . . . 0.0 112.959 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.2 -45.28 66.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 121.47 0.652 . . . . 0.0 110.004 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.49 -3.52 0.42 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.9 t -81.3 -19.78 42.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.033 -1.275 . . . . 0.0 108.55 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.84 135.33 57.27 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.674 0.75 . . . . 0.0 109.423 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.78 134.78 53.85 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.301 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.14 -19.9 47.2 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.8 116.67 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.18 -1.188 . . . . 0.0 108.096 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 171.51 40.05 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.29 -39.95 76.77 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.308 -1.113 . . . . 0.0 110.891 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.01 -41.55 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.769 -1.207 . . . . 0.0 109.663 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.04 -39.13 83.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.157 -0.965 . . . . 0.0 109.618 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.98 96.44 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.55 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.37 -1.076 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.08 -42.71 93.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.666 -1.272 . . . . 0.0 109.926 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.1 mt -63.69 -39.97 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.972 -1.08 . . . . 0.0 109.897 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.497 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.75 -18.41 63.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.326 -0.859 . . . . 0.0 108.7 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 37' ' ' ARG . 24.7 mmt-85 -88.93 -0.71 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.566 -0.709 . . . . 0.0 110.073 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.12 35.15 Favored Glycine 0 N--CA 1.507 3.377 0 O-C-N 121.165 -0.959 . . . . 0.0 112.025 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.32 75.15 1.32 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.746 -1.443 . . . . 0.0 109.069 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.02 -12.17 59.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.418 -0.801 . . . . 0.0 110.905 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 32.4 mmtp -131.12 152.95 49.88 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.06 -1.025 . . . . 0.0 109.351 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.92 94.52 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.371 -0.831 . . . . 0.0 111.677 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 22.7 p90 -58.17 -18.48 25.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.821 -1.175 . . . . 0.0 111.148 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -78.85 -32.77 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.533 -1.354 . . . . 0.0 108.157 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -76.89 -35.46 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.614 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.8 tp -59.96 -39.04 84.27 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.29 96.73 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.035 -1.274 . . . . 0.0 108.611 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.99 -40.0 87.65 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.56 -38.74 81.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.16 -29.69 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.401 -0.812 . . . . 0.0 110.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.96 13.77 8.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.035 -1.04 . . . . 0.0 110.062 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 48.68 38.94 12.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.705 -1.247 . . . . 0.0 109.866 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 60.03 20.37 9.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.629 -0.669 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.81 107.93 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.537 -1.352 . . . . 0.0 108.494 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.51 -39.93 95.71 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 112.606 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -39.28 77.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.215 . . . . 0.0 110.649 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.97 -38.77 76.17 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.255 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -64.18 -48.01 77.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.112 -0.993 . . . . 0.0 109.25 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -59.92 -48.21 82.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.406 -0.809 . . . . 0.0 110.601 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.68 -39.21 93.75 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.872 -1.143 . . . . 0.0 108.785 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -66.47 -44.0 83.93 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.4 -46.09 70.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 110.348 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.96 -48.03 82.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.143 -0.973 . . . . 0.0 110.404 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -69.98 -25.78 63.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.722 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.1 m -78.55 -36.95 43.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.122 -0.986 . . . . 0.0 111.533 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -132.56 -27.73 1.7 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.458 -1.401 . . . . 0.0 112.154 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 13.61 23.15 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 155.08 2.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.259 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.83 171.09 9.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.097 -1.002 . . . . 0.0 109.798 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.73 72.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 110.665 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.15 -41.64 70.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 109.918 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -67.48 -35.21 78.72 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.314 -0.866 . . . . 0.0 110.31 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -68.44 -37.67 80.46 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 110.023 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -59.95 -37.95 81.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.93 -1.106 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.04 -39.66 83.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.604 -1.31 . . . . 0.0 110.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -69.92 -40.07 75.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.718 -1.238 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.11 -60.09 4.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.685 -1.259 . . . . 0.0 110.144 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -32.54 76.69 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.52 -48.85 63.3 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.066 -1.255 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.78 -40.08 72.81 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.419 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -62.92 -43.2 99.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.113 -0.992 . . . . 0.0 110.484 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.99 -38.71 76.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 110.415 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 86.6 t90 -60.8 -45.41 94.52 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.525 -1.359 . . . . 0.0 108.621 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.04 -40.05 88.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.817 . . . . 0.0 109.669 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.12 -32.12 70.7 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.418 -0.801 . . . . 0.0 110.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.12 -35.86 11.73 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.993 -1.067 . . . . 0.0 111.499 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.0 m-85 -104.34 -14.32 15.81 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.156 -0.965 . . . . 0.0 113.036 -176.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.504 2.225 0 O-C-N 120.334 -1.479 . . . . 0.0 109.245 179.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.1 m -74.29 146.83 42.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.442 -0.786 . . . . 0.0 109.108 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -68.86 167.46 15.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 109.674 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -60.0 159.98 8.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.217 -0.927 . . . . 0.0 109.041 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.1 -19.98 65.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.689 -0.632 . . . . 0.0 110.605 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.8 -39.51 94.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.923 -1.111 . . . . 0.0 110.22 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.472 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -58.64 -50.2 74.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.838 -1.164 . . . . 0.0 110.282 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -69.94 -33.15 71.76 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.125 -0.984 . . . . 0.0 110.332 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.11 -39.95 75.17 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.352 -0.843 . . . . 0.0 109.977 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.24 -43.4 98.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 109.902 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.95 13.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.043 -1.036 . . . . 0.0 109.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 -12.79 15.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.425 -0.797 . . . . 0.0 110.458 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.61 154.1 29.91 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.022 -1.048 . . . . 0.0 109.403 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -42.27 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.014 1.81 . . . . 0.0 111.976 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.52 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -91.71 -21.66 20.62 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.205 -0.935 . . . . 0.0 109.651 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.87 -142.65 16.05 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.79 28.19 6.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.45 -1.029 . . . . 0.0 109.649 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.0 147.84 78.89 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.097 -1.002 . . . . 0.0 108.765 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.8 158.27 51.79 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.519 2.146 . . . . 0.0 112.818 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.88 -46.48 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-O 121.447 0.642 . . . . 0.0 110.349 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.81 -3.02 0.4 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 20' ' ' VAL . 86.5 p -80.2 -26.36 39.24 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.855 -1.379 . . . . 0.0 109.084 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.91 139.18 58.4 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.865 0.841 . . . . 0.0 109.595 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 137.41 56.85 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.605 0.717 . . . . 0.0 110.339 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.78 -19.99 52.14 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 mm -99.95 116.38 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.341 -1.093 . . . . 0.0 108.185 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.65 178.87 38.33 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.57 -39.98 77.96 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.592 -0.946 . . . . 0.0 110.054 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.87 -43.29 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.929 -1.107 . . . . 0.0 109.282 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 27' ' ' GLY . 89.0 mt -67.71 -38.58 83.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.537 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -37.96 93.57 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.89 -39.98 95.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -1.118 . . . . 0.0 110.087 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.3 -48.08 68.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.908 -1.12 . . . . 0.0 109.628 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.87 -40.02 91.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.13 -0.981 . . . . 0.0 108.96 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.99 -41.56 92.31 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.742 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.45 -18.63 64.46 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 108.966 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -90.0 0.16 57.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 0.0 110.276 -179.166 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.59 5.47 39.3 Favored Glycine 0 N--CA 1.503 3.143 0 C-N-CA 120.287 -0.959 . . . . 0.0 111.766 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.35 74.76 1.11 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.824 -1.397 . . . . 0.0 109.14 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.91 -10.12 59.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.826 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -137.76 158.38 44.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.926 -1.109 . . . . 0.0 110.513 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.32 86.97 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -59.9 -19.01 49.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.278 -1.514 . . . . 0.0 110.794 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.1 t -78.47 -32.25 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.89 -38.7 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE ' ' A' ' 15' ' ' MET . 53.7 tp -60.08 -38.6 83.35 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.91 90.29 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.07 -41.29 92.08 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.0 -1.294 . . . . 0.0 109.554 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.07 -39.91 87.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.258 -0.902 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.22 -38.18 81.64 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.59 -26.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.592 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.79 14.59 13.16 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.988 -1.07 . . . . 0.0 110.35 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 48.72 39.04 12.86 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.941 -1.099 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mttp 60.02 20.02 9.15 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.441 -0.787 . . . . 0.0 110.565 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.18 109.38 3.53 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.511 -1.368 . . . . 0.0 108.328 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.01 -40.38 94.81 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.317 -0.864 . . . . 0.0 112.977 -177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -68.72 -39.75 80.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.454 -1.403 . . . . 0.0 109.485 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -40.03 75.85 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.895 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.82 -49.99 70.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.0 -47.25 86.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.442 -0.786 . . . . 0.0 110.953 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.06 -35.85 82.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 109.086 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -63.04 -47.46 82.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.344 -0.847 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -68.25 -48.44 65.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.641 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.08 -48.2 82.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.66 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -67.94 -31.14 70.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.492 -0.755 . . . . 0.0 109.292 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' NH2' ' A' ' 37' ' ' ARG . 55.2 m -80.01 -34.83 38.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 111.48 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.0 p -130.21 -29.54 2.03 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.621 -1.299 . . . . 0.0 112.281 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.18 14.63 21.98 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.96 154.12 2.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.036 -1.273 . . . . 0.0 109.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -92.58 173.36 7.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.186 -0.946 . . . . 0.0 109.978 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.45 74.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.505 -0.747 . . . . 0.0 110.525 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.11 -41.36 70.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.819 -1.176 . . . . 0.0 109.932 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.44 -36.87 82.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.845 . . . . 0.0 110.56 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 p -67.14 -37.82 84.48 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 110.006 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.2 -39.42 86.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.99 -1.069 . . . . 0.0 109.775 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.01 83.41 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.754 -1.216 . . . . 0.0 110.753 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -68.19 -40.13 82.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.976 -1.078 . . . . 0.0 109.967 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.27 -60.31 4.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.706 -1.246 . . . . 0.0 110.283 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.91 -31.77 73.17 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -68.75 -49.44 58.75 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.124 -1.221 . . . . 0.0 109.796 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.0 -40.03 75.54 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.291 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 82' ' ' ARG . 8.3 tpt180 -62.48 -42.32 99.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 110.188 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.3 mt-10 -69.94 -39.74 75.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 111.129 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.3 t90 -61.07 -42.36 98.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.564 -1.335 . . . . 0.0 109.01 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.1 m -61.21 -40.07 92.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.137 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.03 -30.78 69.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.336 -0.853 . . . . 0.0 110.175 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.71 -35.21 12.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.159 -0.963 . . . . 0.0 111.38 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 93.4 m-85 -108.98 -12.1 14.9 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.504 2.238 0 O-C-N 120.302 -1.499 . . . . 0.0 109.076 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -74.15 146.81 43.19 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.423 -0.798 . . . . 0.0 109.105 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -68.85 167.5 15.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.604 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -60.0 159.99 8.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.244 -0.91 . . . . 0.0 109.071 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.09 -19.84 65.53 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.645 -0.659 . . . . 0.0 110.573 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -64.04 -39.37 93.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.233 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.472 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.5 t60 -58.65 -50.18 74.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.862 -1.149 . . . . 0.0 110.281 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -69.99 -33.17 71.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.11 -0.994 . . . . 0.0 110.396 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.0 -40.01 75.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.252 -0.905 . . . . 0.0 110.104 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.25 -43.41 98.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 109.936 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.0 13.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.113 -0.992 . . . . 0.0 109.87 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.15 -12.83 15.04 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.39 -0.819 . . . . 0.0 110.459 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -153.56 154.24 30.16 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.967 -1.083 . . . . 0.0 109.457 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.34 163.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.997 1.798 . . . . 0.0 112.044 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.524 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.9 ptp -91.8 -21.48 20.65 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.251 -0.906 . . . . 0.0 109.732 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.57 -142.57 15.14 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -102.78 28.36 6.2 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.437 -1.037 . . . . 0.0 109.667 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.08 147.98 79.06 Favored Pre-proline 0 C--N 1.303 -1.415 0 O-C-N 121.023 -1.048 . . . . 0.0 108.758 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.96 158.12 53.24 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.513 2.142 . . . . 0.0 112.811 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.5 p -54.77 -46.32 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.628 -0.67 . . . . 0.0 110.383 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.541 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.13 -2.8 0.44 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 20' ' ' VAL . 87.0 p -80.27 -26.45 38.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.918 -1.343 . . . . 0.0 108.985 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.89 139.34 58.38 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.908 0.861 . . . . 0.0 109.637 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.56 137.61 56.89 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.737 0.78 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 -20.22 51.25 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.77 116.61 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.291 -1.123 . . . . 0.0 108.117 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.47 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.8 178.73 38.02 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -57.39 -40.09 77.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.505 -0.997 . . . . 0.0 110.139 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -43.47 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.065 . . . . 0.0 109.325 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.47 HD12 ' H ' ' B' ' 27' ' ' GLY . 88.9 mt -67.4 -38.63 84.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.13 93.61 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.97 -39.98 95.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.423 -1.045 . . . . 0.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.09 -48.18 68.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.0 109.589 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.96 -39.96 91.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 0.0 108.925 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.97 -41.7 92.53 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.831 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.26 -18.7 64.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.45 -0.781 . . . . 0.0 108.989 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 0.4 OUTLIER -90.03 0.4 57.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.551 -0.718 . . . . 0.0 110.334 -179.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.49 5.45 39.59 Favored Glycine 0 N--CA 1.503 3.104 0 O-C-N 121.131 -0.981 . . . . 0.0 111.737 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.34 75.0 1.13 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.871 -1.37 . . . . 0.0 109.091 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -79.97 -10.05 59.74 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.807 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.97 158.46 44.28 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.923 -1.111 . . . . 0.0 110.538 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.34 87.14 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -59.93 -19.22 50.58 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.28 -1.512 . . . . 0.0 110.812 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.45 -32.08 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.677 -1.264 . . . . 0.0 107.611 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.91 -38.64 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.524 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.3 tp -59.99 -39.05 84.41 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.05 -44.0 88.26 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.02 -41.28 91.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.99 -1.3 . . . . 0.0 109.503 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -60.11 -39.99 88.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.204 -0.935 . . . . 0.0 108.692 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.09 -38.21 82.08 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.44 -26.18 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.672 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.93 14.76 12.91 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.048 -1.033 . . . . 0.0 110.4 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 48.77 38.96 12.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.886 -1.134 . . . . 0.0 110.589 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mttp 59.96 20.07 9.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.383 -0.823 . . . . 0.0 110.454 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -68.16 109.43 3.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.544 -1.347 . . . . 0.0 108.252 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.11 -40.49 94.59 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.313 -0.867 . . . . 0.0 112.918 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.51 -39.82 81.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.455 -1.403 . . . . 0.0 109.507 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.91 -39.96 75.86 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.917 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.91 -49.92 70.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.901 . . . . 0.0 109.412 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.08 -47.37 86.18 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.446 -0.784 . . . . 0.0 110.988 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -35.89 82.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.874 -1.141 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.07 -47.46 82.84 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.08 -48.6 65.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.969 . . . . 0.0 110.642 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.13 -48.31 82.26 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 109.582 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -67.8 -31.01 70.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.629 -0.669 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.491 ' O ' ' NH2' ' B' ' 37' ' ' ARG . 54.6 m -80.09 -34.73 37.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 111.525 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.9 p -130.37 -29.71 1.98 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.578 -1.326 . . . . 0.0 112.205 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.3 14.77 21.4 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.1 154.31 2.33 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.142 -1.21 . . . . 0.0 109.498 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -92.69 173.44 7.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.281 -0.887 . . . . 0.0 109.927 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.2 74.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.486 -0.759 . . . . 0.0 110.632 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.34 -41.36 69.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.798 -1.189 . . . . 0.0 109.925 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.34 -36.84 82.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.28 -0.888 . . . . 0.0 110.557 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.2 p -67.21 -37.78 84.19 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.188 -0.945 . . . . 0.0 110.028 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -60.46 -39.02 86.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.033 -1.042 . . . . 0.0 109.735 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.29 -39.93 81.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.702 -1.249 . . . . 0.0 110.747 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.19 -40.05 82.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.852 -1.155 . . . . 0.0 110.027 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.26 -60.3 4.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.792 -1.192 . . . . 0.0 110.379 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.94 -31.61 72.79 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.059 -1.217 . . . . 0.0 110.059 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.68 -49.55 58.12 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.045 -1.268 . . . . 0.0 109.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.284 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.54 -42.19 99.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.292 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.472 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.2 mt-10 -70.0 -39.8 75.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.086 -1.009 . . . . 0.0 111.062 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.5 t90 -61.07 -42.44 98.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.526 -1.359 . . . . 0.0 108.971 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 58.5 m -61.12 -40.14 92.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -30.57 69.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.362 -0.836 . . . . 0.0 110.264 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.84 -35.32 12.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.067 -1.021 . . . . 0.0 111.338 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 93.4 m-85 -108.66 -12.47 14.95 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.506 2.334 0 O-C-N 120.266 -1.521 . . . . 0.0 109.184 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 2' ' ' THR . 1.5 t -83.02 3.48 30.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.297 -0.877 . . . . 0.0 108.953 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -69.96 160.03 32.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.51 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -78.52 168.18 20.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.79 -23.38 67.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.739 -0.601 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.49 -38.1 88.58 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.825 -1.172 . . . . 0.0 109.709 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -60.04 -53.66 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 110.747 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.95 -32.74 71.15 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.001 -1.062 . . . . 0.0 110.056 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -70.46 -39.47 74.27 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.996 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.4 -42.32 83.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.973 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.82 16.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.947 -1.096 . . . . 0.0 110.181 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.11 -6.45 11.36 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.484 -0.76 . . . . 0.0 110.441 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.42 151.07 26.55 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.759 -1.213 . . . . 0.0 109.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.57 160.23 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.949 1.766 . . . . 0.0 111.658 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.505 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.1 ptp -91.17 -20.98 21.4 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.006 -1.059 . . . . 0.0 110.17 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.75 -140.18 26.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -105.25 30.97 5.2 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.495 -1.003 . . . . 0.0 110.242 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.04 148.45 77.53 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 108.223 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.79 157.08 63.37 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.084 1.856 . . . . 0.0 112.593 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.3 p -52.92 -44.89 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.579 -0.701 . . . . 0.0 110.768 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.25 -3.69 0.95 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' VAL . 34.0 t -81.07 -22.27 39.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.974 -1.31 . . . . 0.0 109.052 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.79 139.74 58.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.72 136.11 56.59 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.727 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 -19.94 50.92 Favored Glycine 0 N--CA 1.5 2.923 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.54 118.67 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.245 -1.15 . . . . 0.0 108.41 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.32 177.65 38.01 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.08 -40.0 79.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.549 -0.971 . . . . 0.0 110.327 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.87 -45.23 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.043 -1.035 . . . . 0.0 109.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.42 -36.65 83.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.445 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.93 96.24 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.03 -40.08 94.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -1.178 . . . . 0.0 110.245 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -66.88 -49.2 66.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.57 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.91 -41.13 99.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.042 -1.036 . . . . 0.0 109.243 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.592 -0.693 . . . . 0.0 110.902 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.41 -18.73 65.55 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.187 -0.945 . . . . 0.0 108.998 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' NH1' HG22 ' A' ' 66' ' ' THR . 95.9 mtt180 -90.2 1.16 56.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.526 -0.734 . . . . 0.0 110.648 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.91 38.15 Favored Glycine 0 N--CA 1.503 3.151 0 O-C-N 121.1 -1.0 . . . . 0.0 111.838 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -103.89 71.98 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.771 -1.429 . . . . 0.0 108.194 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 31.1 p-10 -81.01 -11.47 59.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.464 -0.773 . . . . 0.0 111.431 -178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.98 45.4 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.927 -1.108 . . . . 0.0 110.362 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.29 93.54 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -59.98 -19.79 54.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.368 -1.457 . . . . 0.0 111.397 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -79.88 -33.5 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.403 -1.435 . . . . 0.0 107.398 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.66 -39.46 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE ' ' A' ' 15' ' ' MET . 61.7 tp -60.03 -38.27 82.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.39 75.18 Favored Glycine 0 N--CA 1.484 1.836 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.15 -42.57 95.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -1.16 . . . . 0.0 109.594 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.06 -1.025 . . . . 0.0 108.582 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.45 -39.11 85.35 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.251 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.97 -25.54 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.167 -0.958 . . . . 0.0 110.765 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 13.46 13.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.961 -1.087 . . . . 0.0 110.715 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 47.22 39.91 9.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.586 -1.321 . . . . 0.0 110.637 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 59.8 19.88 8.72 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.651 -0.655 . . . . 0.0 110.775 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.49 106.15 2.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.602 -1.311 . . . . 0.0 107.827 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.83 -40.08 95.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.18 -0.95 . . . . 0.0 112.182 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.86 -39.95 83.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.78 -1.2 . . . . 0.0 109.543 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.02 -39.4 75.81 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.326 -0.949 . . . . 0.0 109.26 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.23 -49.97 69.84 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.281 -0.887 . . . . 0.0 109.838 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -60.22 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 110.417 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.0 -38.16 90.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.953 -1.092 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.73 -48.44 80.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.845 . . . . 0.0 111.322 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.39 -47.95 65.99 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 110.364 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -62.16 -48.16 81.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.195 -0.941 . . . . 0.0 110.627 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.7 -27.41 65.93 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 109.16 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.633 HG22 ' NH1' ' A' ' 37' ' ' ARG . 23.7 m -77.54 -38.6 48.32 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.372 -0.83 . . . . 0.0 110.761 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 15.1 p -131.22 -34.01 1.46 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.652 -1.28 . . . . 0.0 111.975 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.19 18.17 6.88 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.64 153.3 2.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.911 -1.346 . . . . 0.0 109.038 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -93.04 173.4 7.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.961 -1.087 . . . . 0.0 110.083 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.84 75.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.624 -0.673 . . . . 0.0 110.732 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.21 -42.28 72.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.687 -1.258 . . . . 0.0 110.128 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.97 -37.22 81.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.246 -0.909 . . . . 0.0 110.498 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.46 -39.23 85.32 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.272 -0.892 . . . . 0.0 110.321 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 75' ' ' ARG . 55.4 mtt-85 -60.8 -36.96 80.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.894 -1.129 . . . . 0.0 110.155 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.41 -39.96 81.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.538 -1.351 . . . . 0.0 110.731 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.07 -40.99 74.71 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.21 -59.43 5.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.613 -1.305 . . . . 0.0 109.976 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.74 85.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.9 t -69.66 -44.13 71.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.259 . . . . 0.0 109.182 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -39.74 75.83 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.281 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.87 -40.35 95.07 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.0 110.086 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -69.99 -39.87 75.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.4 t90 -61.59 -44.18 97.48 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.526 -1.359 . . . . 0.0 108.324 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 66.0 m -61.61 -40.0 93.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.446 -0.784 . . . . 0.0 109.943 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.11 -31.49 68.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.069 -1.019 . . . . 0.0 110.082 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.28 -31.49 14.68 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.194 -0.941 . . . . 0.0 110.603 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.0 m-85 -109.36 1.09 19.8 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.337 -0.852 . . . . 0.0 111.884 -177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 5.8 tp . . . . . 0 N--CA 1.5 2.074 0 O-C-N 120.9 -1.125 . . . . 0.0 108.951 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.448 ' H ' HG22 ' B' ' 2' ' ' THR . 1.5 t -82.86 3.49 29.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.363 -0.836 . . . . 0.0 108.964 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.5 p -69.98 160.01 32.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.449 -0.782 . . . . 0.0 109.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 50.8 m -78.54 168.17 20.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.76 -23.5 67.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.762 -0.586 . . . . 0.0 110.342 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.25 -38.26 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.889 -1.132 . . . . 0.0 109.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.93 -53.56 56.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.027 . . . . 0.0 110.888 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.92 -32.93 71.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.999 -1.063 . . . . 0.0 110.0 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.47 -39.18 74.39 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.488 -0.758 . . . . 0.0 110.03 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.72 -42.3 82.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 110.942 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -82.75 16.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.894 -1.129 . . . . 0.0 110.236 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.01 -5.99 11.42 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.474 -0.766 . . . . 0.0 110.498 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -152.64 151.09 26.21 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.786 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -42.6 160.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.051 1.834 . . . . 0.0 111.536 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.489 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.2 ptp -91.24 -21.27 21.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.122 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.13 -140.13 28.06 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -105.28 30.89 5.27 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.437 -1.037 . . . . 0.0 110.234 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -59.94 148.45 76.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.84 157.1 63.3 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.19 1.926 . . . . 0.0 112.549 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.3 p -52.87 -44.93 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.557 -0.714 . . . . 0.0 110.798 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.26 -3.76 0.98 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.1 t -80.95 -22.35 39.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.833 -1.393 . . . . 0.0 108.99 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.61 139.8 58.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.946 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 136.28 56.71 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.614 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.04 -19.97 50.91 Favored Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -100.66 118.58 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.225 -1.162 . . . . 0.0 108.436 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 177.77 38.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.19 -40.0 80.41 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.552 -0.969 . . . . 0.0 110.269 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.85 -45.18 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.013 -1.054 . . . . 0.0 109.687 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.4 -36.65 83.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.24 -0.913 . . . . 0.0 109.421 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.95 96.37 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.0 -39.96 94.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -1.159 . . . . 0.0 110.27 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -67.08 -49.17 65.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.711 -1.243 . . . . 0.0 109.486 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.84 -41.09 99.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.222 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.03 -46.05 90.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.651 -0.655 . . . . 0.0 110.861 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.34 -18.71 65.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.118 -0.989 . . . . 0.0 109.068 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.626 ' NH1' HG22 ' B' ' 66' ' ' THR . 95.9 mtt180 -90.18 1.01 56.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.59 -0.694 . . . . 0.0 110.6 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.31 4.84 37.78 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.125 -0.984 . . . . 0.0 111.848 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -103.74 71.82 1.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.698 -1.472 . . . . 0.0 108.179 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 31.0 p-10 -80.76 -11.7 59.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.447 -0.783 . . . . 0.0 111.403 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -137.42 157.77 45.87 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.915 -1.115 . . . . 0.0 110.336 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.41 94.05 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -60.03 -19.49 52.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.429 -1.419 . . . . 0.0 111.429 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.99 -33.51 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.458 -1.401 . . . . 0.0 107.356 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -75.8 -39.39 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.489 HD22 ' CE ' ' B' ' 15' ' ' MET . 61.4 tp -59.98 -38.16 81.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.71 -42.05 76.7 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -1.126 . . . . 0.0 109.545 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.98 -39.98 87.56 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.023 -1.048 . . . . 0.0 108.63 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.42 -38.84 85.19 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.359 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.12 -25.59 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.114 -0.991 . . . . 0.0 110.811 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.32 13.29 13.86 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.927 -1.108 . . . . 0.0 110.635 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm 47.24 39.95 9.45 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.622 -1.299 . . . . 0.0 110.553 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 59.93 20.08 9.09 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.602 -0.686 . . . . 0.0 110.74 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.78 106.08 2.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.557 -1.339 . . . . 0.0 107.862 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.71 -40.04 95.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.201 -0.937 . . . . 0.0 112.216 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.98 -39.87 83.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.687 -1.258 . . . . 0.0 109.54 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.05 -39.65 75.57 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.128 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.0 -50.1 69.83 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.24 -0.912 . . . . 0.0 109.895 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -59.99 -45.73 91.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.958 . . . . 0.0 110.604 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.2 -38.17 90.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 109.316 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.7 -48.51 80.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 111.263 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 50.2 tp -68.48 -47.57 66.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.066 -1.021 . . . . 0.0 110.379 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -62.4 -48.18 80.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -68.75 -27.4 65.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.428 -0.795 . . . . 0.0 109.118 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.626 HG22 ' NH1' ' B' ' 37' ' ' ARG . 24.0 m -77.54 -38.65 48.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.452 -0.78 . . . . 0.0 110.656 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 15.1 p -131.23 -33.93 1.46 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.683 -1.261 . . . . 0.0 111.956 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.2 17.86 7.02 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.15 2.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.937 -1.331 . . . . 0.0 109.113 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -92.87 173.25 7.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.794 -1.191 . . . . 0.0 110.126 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.92 75.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.518 -0.739 . . . . 0.0 110.868 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.18 -42.22 72.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.596 -1.315 . . . . 0.0 110.136 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.95 -37.31 81.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.301 -0.874 . . . . 0.0 110.544 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -67.25 -39.43 86.12 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 75' ' ' ARG . 55.2 mtt-85 -60.63 -37.2 80.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.771 -1.206 . . . . 0.0 110.117 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.12 -40.06 82.59 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.518 -1.363 . . . . 0.0 110.85 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.7 m -70.03 -40.93 74.89 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.874 -1.141 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.32 -59.64 5.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.64 -1.287 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.34 -33.9 86.25 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 37.6 t -69.51 -43.99 71.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -1.229 . . . . 0.0 109.253 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.91 -40.01 75.86 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.389 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.62 -40.5 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.217 -0.927 . . . . 0.0 110.134 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -69.9 -39.97 75.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 0.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.606 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 71.4 t90 -61.42 -44.32 97.34 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.602 -1.311 . . . . 0.0 108.307 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.9 m -61.53 -39.98 92.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.07 -31.82 69.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.09 -31.18 14.92 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.177 -0.952 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.606 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.9 m-85 -109.64 1.46 19.59 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.294 -0.879 . . . . 0.0 111.849 -177.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 85' ' ' CYS . 4.8 tp . . . . . 0 N--CA 1.501 2.09 0 O-C-N 120.848 -1.158 . . . . 0.0 109.069 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -100.08 -20.88 15.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.283 -0.886 . . . . 0.0 109.658 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p -96.67 140.28 31.51 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.131 -0.981 . . . . 0.0 109.303 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.84 168.26 15.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.321 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.73 -18.71 64.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.641 -0.662 . . . . 0.0 109.646 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -60.03 -39.22 85.15 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.093 -1.004 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 75.6 t60 -60.11 -53.57 56.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 110.674 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -70.03 -33.62 72.21 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.057 -1.027 . . . . 0.0 110.07 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -39.07 76.1 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.03 -44.52 84.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.88 11.46 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.069 -1.019 . . . . 0.0 110.139 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.66 17.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.1 153.67 25.98 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 0.0 109.169 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.16 159.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.594 1.53 . . . . 0.0 111.171 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.589 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.0 ptp -90.06 -23.83 21.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.013 -1.055 . . . . 0.0 110.0 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -136.78 39.7 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -107.59 30.0 6.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.51 -0.994 . . . . 0.0 110.316 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.19 149.76 74.13 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.028 -1.045 . . . . 0.0 108.691 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -62.83 151.42 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.269 1.979 . . . . 0.0 112.836 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.5 p -54.39 -46.06 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.746 -0.596 . . . . 0.0 110.392 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.91 -3.59 0.54 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' VAL . 24.7 t -81.97 -19.67 40.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.948 -1.325 . . . . 0.0 109.108 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 138.55 58.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.712 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 135.93 54.46 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.765 0.793 . . . . 0.0 110.381 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.76 -21.72 41.17 Favored Glycine 0 N--CA 1.5 2.911 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -98.85 119.93 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.173 -1.192 . . . . 0.0 107.809 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 175.78 40.24 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 120.588 -1.32 . . . . 0.0 109.904 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.29 -39.99 84.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.421 -1.046 . . . . 0.0 109.945 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.54 -47.73 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.915 -1.116 . . . . 0.0 109.394 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.0 -38.4 85.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.6 95.59 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.49 -38.43 87.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -1.144 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.33 -47.24 83.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.95 -1.094 . . . . 0.0 110.098 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.2 -39.92 88.25 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.133 -0.979 . . . . 0.0 110.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -39.92 87.71 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.021 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -68.99 -21.42 64.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 109.038 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.81 0.05 56.31 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.279 -0.888 . . . . 0.0 110.071 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.5 38.53 3.45 Favored Glycine 0 N--CA 1.502 3.061 0 O-C-N 121.044 -1.035 . . . . 0.0 110.78 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.65 72.53 1.48 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 32.4 p-10 -80.71 -14.46 58.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.77 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -128.56 150.1 50.33 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.15 -0.969 . . . . 0.0 109.277 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.86 94.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.477 -0.764 . . . . 0.0 111.194 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -59.24 -18.69 39.22 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.881 -1.137 . . . . 0.0 111.256 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -78.15 -31.18 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.532 -1.355 . . . . 0.0 107.64 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -77.7 -36.26 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE ' ' A' ' 15' ' ' MET . 35.8 tp -60.03 -40.04 87.94 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.46 96.82 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.07 -41.23 91.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.11 -1.23 . . . . 0.0 108.826 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.92 -38.73 83.28 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.25 -28.68 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.807 . . . . 0.0 110.349 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.6 mt -89.36 14.05 12.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.773 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.28 37.14 10.73 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.713 -1.242 . . . . 0.0 110.182 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 60.05 19.96 9.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.519 -0.738 . . . . 0.0 110.838 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -68.12 111.02 4.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.361 -1.462 . . . . 0.0 108.443 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.34 -40.53 89.91 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.282 -0.886 . . . . 0.0 112.514 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.45 -39.98 77.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.722 -1.236 . . . . 0.0 110.451 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.84 -38.01 76.36 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.465 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.44 -49.8 74.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.648 -0.657 . . . . 0.0 110.049 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 60' ' ' ARG . 9.6 mtm-85 -59.95 -43.68 94.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.161 -0.962 . . . . 0.0 110.392 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.35 -39.94 94.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.665 -1.272 . . . . 0.0 108.515 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.21 -44.86 86.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.886 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.54 -47.88 65.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.875 . . . . 0.0 111.092 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.3 -47.26 85.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.117 -0.989 . . . . 0.0 110.612 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -69.05 -26.96 65.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.325 -0.859 . . . . 0.0 109.576 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -80.27 -34.42 37.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.259 -0.901 . . . . 0.0 111.354 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.1 p -132.48 -33.27 1.27 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.629 -1.294 . . . . 0.0 112.161 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.65 15.03 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.37 153.23 3.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.088 -1.242 . . . . 0.0 109.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -92.37 172.71 8.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.26 -0.9 . . . . 0.0 110.187 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.07 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 111.093 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.71 -41.76 71.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.631 -1.293 . . . . 0.0 109.853 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -66.28 -38.56 88.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -62.98 -40.01 96.44 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.19 -0.944 . . . . 0.0 110.432 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.34 -37.83 84.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.768 -1.208 . . . . 0.0 110.026 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.627 -1.296 . . . . 0.0 110.526 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.0 m -68.49 -40.07 81.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.905 -1.122 . . . . 0.0 109.973 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.39 -60.84 3.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.721 -1.237 . . . . 0.0 110.389 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.44 -31.26 73.71 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.95 -49.07 49.58 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.136 -1.214 . . . . 0.0 110.218 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.98 -40.07 75.55 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.694 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -62.08 -40.09 94.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.258 -0.901 . . . . 0.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 89.9 mt-10 -69.45 -39.15 77.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.048 -1.032 . . . . 0.0 110.791 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.604 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.6 t90 -60.06 -44.81 94.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.316 -1.49 . . . . 0.0 107.639 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.7 m -61.1 -40.02 92.18 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -60.47 -37.45 81.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 -35.15 19.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.109 -0.994 . . . . 0.0 110.092 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.604 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.9 m-85 -105.58 -85.63 0.48 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.424 -0.798 . . . . 0.0 110.489 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.694 -1.254 . . . . 0.0 109.412 -179.775 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.9 m -99.93 -20.95 15.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.299 -0.876 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -96.56 140.22 31.5 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.095 -1.003 . . . . 0.0 109.363 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -84.76 168.1 15.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.339 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -63.68 -18.59 64.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.664 . . . . 0.0 109.701 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -59.97 -39.73 86.66 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.199 -0.938 . . . . 0.0 109.984 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.44 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 76.0 t60 -59.7 -53.71 54.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 110.714 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -69.93 -33.72 72.51 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.1 -1.0 . . . . 0.0 110.109 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.86 -39.32 76.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -65.77 -44.69 85.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 110.217 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.87 11.62 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.103 -0.998 . . . . 0.0 110.209 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.53 -9.77 17.25 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.314 -0.866 . . . . 0.0 110.071 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.03 153.69 26.13 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.153 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -42.14 159.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 121.581 1.521 . . . . 0.0 111.253 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.594 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.1 ptp -90.21 -23.78 21.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.027 -1.045 . . . . 0.0 109.962 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.35 -136.83 39.03 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.54 30.05 6.62 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.476 -1.014 . . . . 0.0 110.335 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -60.16 149.74 73.97 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.001 . . . . 0.0 108.683 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.95 151.42 84.61 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.351 2.034 . . . . 0.0 112.754 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.522 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.4 p -54.45 -46.01 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.653 -0.655 . . . . 0.0 110.48 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.522 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.96 -3.42 0.51 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 24.8 t -82.02 -19.59 40.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.082 -1.246 . . . . 0.0 109.094 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.43 138.65 58.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 135.93 54.31 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.818 0.818 . . . . 0.0 110.358 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.74 -21.69 41.32 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mm -98.89 120.01 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.04 175.67 40.04 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.19 -40.06 84.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.493 -1.004 . . . . 0.0 109.986 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.51 -47.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.037 -1.04 . . . . 0.0 109.384 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.03 -38.32 85.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.44 95.61 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.64 -38.27 87.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.249 -1.148 . . . . 0.0 109.909 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.39 -47.4 82.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 110.034 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.17 -39.8 87.68 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.048 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -68.98 -21.42 64.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 0.0 109.11 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -87.74 0.01 56.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.398 -0.813 . . . . 0.0 110.124 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 38.5 3.47 Favored Glycine 0 N--CA 1.502 3.064 0 O-C-N 121.029 -1.044 . . . . 0.0 110.79 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.61 72.59 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 32.3 p-10 -80.85 -14.4 58.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.896 . . . . 0.0 110.718 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -128.53 150.09 50.33 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -0.782 . . . . 0.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.15 -18.67 38.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.838 -1.164 . . . . 0.0 111.33 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.12 -31.37 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.579 -1.326 . . . . 0.0 107.613 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -77.47 -36.45 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE ' ' B' ' 15' ' ' MET . 35.6 tp -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.46 96.78 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.06 -41.22 91.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -1.219 . . . . 0.0 108.906 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.82 -38.78 83.69 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.37 -28.5 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 110.341 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -89.5 14.07 12.3 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.128 -0.982 . . . . 0.0 110.743 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.17 37.12 10.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.67 -1.269 . . . . 0.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.02 20.1 9.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.468 -0.77 . . . . 0.0 110.922 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.11 110.83 4.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.454 -1.404 . . . . 0.0 108.444 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.22 -40.57 90.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.195 -0.94 . . . . 0.0 112.464 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.42 -40.12 77.45 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.764 -1.21 . . . . 0.0 110.383 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.84 -37.93 76.34 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.439 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -62.55 -49.68 74.34 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.62 -0.675 . . . . 0.0 110.17 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' B' ' 60' ' ' ARG . 9.6 mtm-85 -60.03 -43.7 95.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 110.39 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.23 -39.96 94.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.725 -1.234 . . . . 0.0 108.562 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -65.39 -44.71 86.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.345 -0.847 . . . . 0.0 110.586 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.61 -47.79 65.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 111.115 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.39 -47.28 84.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.159 -0.963 . . . . 0.0 110.594 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.0 -26.95 65.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.686 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.8 m -80.35 -34.4 36.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 111.329 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 p -132.48 -33.24 1.27 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.522 -1.361 . . . . 0.0 112.157 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 15.54 15.26 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.31 153.09 3.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.134 -1.215 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -92.2 172.82 8.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.23 -0.919 . . . . 0.0 110.262 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.85 76.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.668 -0.645 . . . . 0.0 110.987 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.77 -41.85 71.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.59 -1.319 . . . . 0.0 109.84 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.23 -38.65 88.43 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.353 -0.842 . . . . 0.0 110.049 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 73.4 m -63.03 -39.93 96.2 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.195 -0.941 . . . . 0.0 110.439 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.25 -37.88 84.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.866 -1.146 . . . . 0.0 110.117 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.39 -39.94 81.51 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.629 -1.294 . . . . 0.0 110.549 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.61 -39.94 80.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.757 -1.214 . . . . 0.0 109.929 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.49 -60.85 3.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 110.469 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.54 -31.16 73.75 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.92 -49.08 49.56 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.159 -1.2 . . . . 0.0 110.227 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.756 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.15 -39.96 94.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.988 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 90.0 mt-10 -69.48 -39.28 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.097 -1.002 . . . . 0.0 110.795 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.6 t90 -60.02 -44.85 94.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.37 -1.456 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -61.11 -40.03 92.2 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.45 -37.31 80.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.633 -0.667 . . . . 0.0 110.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.45 -35.05 19.9 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.135 -0.978 . . . . 0.0 110.069 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.3 m-85 -105.66 -85.66 0.48 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.84 . . . . 0.0 110.42 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.498 1.965 0 O-C-N 120.743 -1.223 . . . . 0.0 109.42 -179.71 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -62.37 142.21 57.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.404 -0.81 . . . . 0.0 109.655 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.2 p -74.29 168.24 20.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.529 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.5 m -69.57 154.6 41.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.444 -0.785 . . . . 0.0 109.16 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.7 -19.84 62.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.76 -0.588 . . . . 0.0 110.29 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -64.92 -39.94 94.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.984 -1.073 . . . . 0.0 110.167 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 110.501 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.99 -33.56 72.21 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.175 -0.953 . . . . 0.0 109.814 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 96.0 m-20 -72.58 -39.97 66.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.235 -0.916 . . . . 0.0 110.433 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -64.22 -40.0 95.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.228 -0.92 . . . . 0.0 110.113 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.54 21.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.971 -1.081 . . . . 0.0 109.935 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.76 -8.73 11.36 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.432 -0.793 . . . . 0.0 111.641 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -153.69 150.7 23.65 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.346 -1.471 . . . . 0.0 109.308 178.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.02 160.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.901 1.734 . . . . 0.0 111.505 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.61 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.0 ptp -89.63 -21.98 22.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.052 -1.03 . . . . 0.0 110.244 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.98 -139.29 29.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.52 30.86 5.36 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -1.023 . . . . 0.0 109.754 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -59.58 150.22 67.18 Favored Pre-proline 0 N--CA 1.487 1.39 0 O-C-N 121.084 -1.01 . . . . 0.0 108.499 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.76 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.445 2.097 . . . . 0.0 112.764 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.8 p -56.52 -43.91 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.556 -0.715 . . . . 0.0 110.276 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -4.01 2.02 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' VAL . 64.9 p -80.99 -25.4 37.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.95 -1.324 . . . . 0.0 108.837 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.04 139.98 58.82 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.973 0.892 . . . . 0.0 110.029 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 134.73 54.53 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.735 0.779 . . . . 0.0 110.405 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -22.12 41.63 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.39 117.27 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.042 -1.269 . . . . 0.0 108.114 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.74 179.3 38.44 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 36.9 mp0 -57.24 -40.0 76.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.491 -1.005 . . . . 0.0 110.27 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.29 -46.12 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.02 -1.05 . . . . 0.0 110.016 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.78 -37.01 83.73 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.97 96.38 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.04 -39.38 93.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.18 -1.188 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.03 -47.31 68.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.695 -1.253 . . . . 0.0 109.598 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.87 -40.16 96.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.058 -1.026 . . . . 0.0 108.579 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.04 -40.67 90.2 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.514 0.673 . . . . 0.0 109.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -66.8 -21.36 66.04 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.494 -0.754 . . . . 0.0 109.181 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -91.83 5.31 50.41 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.335 -0.853 . . . . 0.0 110.734 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 6.53 46.31 Favored Glycine 0 N--CA 1.505 3.238 0 O-C-N 121.015 -1.053 . . . . 0.0 112.351 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -104.99 73.29 1.05 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.682 -1.481 . . . . 0.0 108.267 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 35.0 p-10 -80.94 -9.98 59.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.6 -0.687 . . . . 0.0 111.909 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.47 159.42 42.11 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.782 -1.199 . . . . 0.0 110.854 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.13 88.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.781 -0.574 . . . . 0.0 112.502 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -59.97 -19.62 53.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.439 -1.413 . . . . 0.0 111.118 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.05 -33.64 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -75.81 -38.33 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.61 HD22 ' CE ' ' A' ' 15' ' ' MET . 64.2 tp -60.09 -38.51 83.14 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.83 88.91 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.02 -43.72 95.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.112 -1.228 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.93 -40.09 87.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.278 -0.889 . . . . 0.0 109.189 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.13 -38.15 87.45 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.67 -29.82 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 110.895 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 14.28 10.33 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.062 -1.024 . . . . 0.0 110.902 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.02 39.13 7.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.738 -1.226 . . . . 0.0 110.387 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mttp 60.13 19.9 9.17 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 111.254 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.08 110.9 4.16 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.382 -1.449 . . . . 0.0 108.712 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.71 -41.41 92.35 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.313 -0.867 . . . . 0.0 112.592 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -68.07 -39.66 82.89 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.679 -1.263 . . . . 0.0 110.06 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.11 -38.7 75.67 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.115 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.86 -47.87 76.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.56 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.07 -48.1 83.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.302 -0.874 . . . . 0.0 110.755 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.0 -37.55 87.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.777 -1.202 . . . . 0.0 108.808 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -63.31 -47.74 80.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.376 -0.827 . . . . 0.0 111.352 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.27 -47.54 67.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 110.555 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -61.94 -47.91 82.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 110.034 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.09 -26.22 64.82 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.486 -0.759 . . . . 0.0 109.155 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.88 -38.93 31.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 111.202 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.68 -29.59 1.92 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.537 -1.352 . . . . 0.0 112.183 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.21 15.67 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.55 153.38 3.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.065 -1.256 . . . . 0.0 109.412 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.13 170.33 10.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.196 -0.94 . . . . 0.0 109.739 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.477 -0.764 . . . . 0.0 110.793 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.0 -40.81 75.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.47 -1.394 . . . . 0.0 109.911 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.87 -40.03 83.65 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -0.813 . . . . 0.0 110.565 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -65.3 -38.8 91.33 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.01 -38.64 83.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 109.675 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.79 -40.03 83.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.553 -1.342 . . . . 0.0 110.666 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.51 -40.0 85.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.881 -1.137 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.91 -60.22 4.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.588 -1.32 . . . . 0.0 110.146 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.14 -32.87 83.95 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.87 -48.39 63.55 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.052 -1.264 . . . . 0.0 109.593 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.02 -39.96 75.49 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.201 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.22 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.223 -0.923 . . . . 0.0 110.487 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -68.21 -38.95 82.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.963 -1.086 . . . . 0.0 110.209 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.4 t90 -60.03 -44.47 94.62 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.747 -1.221 . . . . 0.0 108.223 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.57 -40.17 96.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.47 -0.769 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.06 -36.13 76.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 0.0 110.211 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.47 -37.28 18.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.104 -0.998 . . . . 0.0 110.235 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 81.9 m-85 -103.01 -85.04 0.45 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.294 -0.879 . . . . 0.0 110.427 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.048 -1.032 . . . . 0.0 109.511 -179.214 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m -62.48 142.32 57.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.352 -0.842 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -74.44 168.38 19.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.495 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -69.63 154.8 41.48 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.347 -0.846 . . . . 0.0 109.253 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.78 -19.77 62.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.803 -0.561 . . . . 0.0 110.419 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -64.97 -39.85 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 0.0 110.184 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.95 -51.08 71.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.034 -1.042 . . . . 0.0 110.384 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -69.93 -33.68 72.46 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.095 -1.003 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.488 ' O ' ' OE1' ' B' ' 13' ' ' GLU . 95.7 m-20 -72.37 -40.09 67.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.846 . . . . 0.0 110.453 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.26 -39.98 95.05 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.048 -1.033 . . . . 0.0 110.083 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 m -82.4 20.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.972 -1.08 . . . . 0.0 110.068 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.39 11.57 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.422 -0.799 . . . . 0.0 111.706 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 0.7 OUTLIER -153.93 150.45 22.8 Favored Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 120.331 -1.481 . . . . 0.0 109.487 179.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.17 160.33 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.854 1.703 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.605 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.1 ptp -89.47 -22.17 22.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.177 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.27 -139.11 30.63 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -105.71 30.6 5.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.546 -0.973 . . . . 0.0 109.812 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -59.22 150.21 64.2 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.133 -0.98 . . . . 0.0 108.612 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.89 157.04 63.58 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.444 2.096 . . . . 0.0 112.73 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' B' ' 22' ' ' SER . 2.9 p -56.34 -44.13 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.436 -0.79 . . . . 0.0 110.339 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.63 -4.23 1.96 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 20' ' ' VAL . 65.0 p -80.81 -25.43 37.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.99 -1.3 . . . . 0.0 108.844 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.83 139.96 58.82 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.964 0.888 . . . . 0.0 110.148 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 134.79 54.75 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.282 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -22.1 41.8 Favored Glycine 0 N--CA 1.498 2.791 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.38 117.37 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -1.176 . . . . 0.0 108.128 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.85 179.22 38.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 36.8 mp0 -57.28 -40.01 76.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.599 -0.942 . . . . 0.0 110.245 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -46.09 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 109.884 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.78 -36.93 83.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 0.0 109.755 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.97 96.4 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.14 -39.23 93.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.18 -1.188 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -68.21 -47.52 67.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.674 -1.266 . . . . 0.0 109.521 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.72 -40.17 96.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 108.54 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.98 -40.73 90.14 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.509 0.671 . . . . 0.0 109.407 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.86 -21.27 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.403 -0.811 . . . . 0.0 109.143 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -91.82 5.12 51.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.311 -0.868 . . . . 0.0 110.727 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.95 6.33 46.01 Favored Glycine 0 N--CA 1.504 3.197 0 O-C-N 120.991 -1.068 . . . . 0.0 112.323 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.82 73.09 1.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.494 . . . . 0.0 108.317 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -80.7 -10.02 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.596 -0.69 . . . . 0.0 111.887 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -138.56 159.2 42.7 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 110.845 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.24 88.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -59.99 -19.16 50.86 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.449 -1.407 . . . . 0.0 111.116 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.35 -33.67 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -75.81 -38.41 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.605 HD22 ' CE ' ' B' ' 15' ' ' MET . 64.1 tp -59.91 -38.4 82.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.56 90.22 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -60.1 -43.65 95.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.256 . . . . 0.0 109.429 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.216 -0.927 . . . . 0.0 109.151 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.12 -37.94 86.94 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.89 -29.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.551 -0.718 . . . . 0.0 110.771 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.46 13.9 10.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.967 -1.083 . . . . 0.0 110.864 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 47.33 39.15 8.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.657 -1.277 . . . . 0.0 110.354 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 59.99 20.0 9.09 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.476 -0.765 . . . . 0.0 111.274 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.09 110.94 4.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.382 -1.449 . . . . 0.0 108.716 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -40.95 91.52 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.222 -0.924 . . . . 0.0 112.62 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -68.33 -39.82 81.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.63 -1.294 . . . . 0.0 110.045 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.97 -38.78 76.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.135 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.65 -47.92 76.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 109.692 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.725 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -64.24 -37.71 88.46 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.803 -1.185 . . . . 0.0 108.792 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -63.04 -47.95 80.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 111.335 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.28 -47.16 68.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 0.0 110.646 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -62.26 -47.78 82.83 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.999 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -69.16 -26.26 64.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.421 -0.799 . . . . 0.0 109.037 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.0 m -79.95 -38.95 31.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.348 -0.845 . . . . 0.0 111.229 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.72 -29.26 1.94 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.57 -1.331 . . . . 0.0 112.08 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.44 14.85 17.01 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.35 153.4 2.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.993 -1.298 . . . . 0.0 109.37 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -91.2 170.24 10.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.98 71.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.485 -0.759 . . . . 0.0 110.864 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.02 -40.85 74.95 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.395 . . . . 0.0 109.927 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -67.8 -39.98 83.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.449 -0.782 . . . . 0.0 110.564 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.9 m -65.22 -38.93 91.95 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.145 -0.972 . . . . 0.0 110.244 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.94 -38.76 83.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.185 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.93 84.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.709 -1.244 . . . . 0.0 110.726 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.7 -39.98 84.37 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.902 -1.123 . . . . 0.0 110.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -58.87 -60.44 3.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.537 -1.352 . . . . 0.0 110.018 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.89 83.66 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.83 -48.41 63.58 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.99 -1.3 . . . . 0.0 109.61 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.01 -40.08 75.47 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.065 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.12 -40.05 95.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.202 -0.936 . . . . 0.0 110.551 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 110.23 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.04 -44.39 94.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.696 -1.253 . . . . 0.0 108.266 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.8 m -62.51 -40.14 95.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.366 -0.834 . . . . 0.0 109.389 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.05 -36.35 77.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.463 -0.773 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.28 -37.14 18.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.069 -1.02 . . . . 0.0 110.313 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 81.4 m-85 -103.12 -85.1 0.46 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.28 -0.887 . . . . 0.0 110.487 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.567 -179.358 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.47 0.653 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.1 m -80.0 -71.05 0.47 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.488 -0.758 . . . . 0.0 109.959 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p -82.38 149.99 27.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.155 -0.965 . . . . 0.0 109.397 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 m -78.91 169.45 18.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.143 -0.973 . . . . 0.0 109.018 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.92 -20.82 64.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.674 -0.641 . . . . 0.0 109.923 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.37 -39.91 92.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.03 -49.83 76.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.215 -0.928 . . . . 0.0 110.589 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 mtm180 -69.7 -35.83 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.006 -1.059 . . . . 0.0 109.735 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.73 -39.75 91.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.43 -48.88 75.92 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.156 -0.965 . . . . 0.0 110.428 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -86.95 6.95 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.024 -1.048 . . . . 0.0 111.153 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -100.71 -18.49 16.48 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.95 -1.094 . . . . 0.0 110.615 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.36 152.27 30.58 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.008 -1.058 . . . . 0.0 109.564 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -40.06 162.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.926 1.751 . . . . 0.0 111.709 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.521 ' CE ' HD22 ' A' ' 46' ' ' LEU . 3.4 ptp -92.02 -31.19 15.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.099 -1.001 . . . . 0.0 110.01 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.2 -139.17 44.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.4 29.75 6.23 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.428 -1.043 . . . . 0.0 109.989 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -57.81 147.73 61.53 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.48 155.23 67.44 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.306 2.004 . . . . 0.0 112.618 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.0 -40.78 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 110.53 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -4.01 3.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.2 m -80.98 -17.31 50.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.876 -1.367 . . . . 0.0 109.288 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.27 137.55 57.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.128 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 136.43 56.59 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.618 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.04 -19.11 56.11 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.64 114.95 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.405 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.46 178.36 38.27 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 120.701 -1.249 . . . . 0.0 110.218 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.15 -39.97 84.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.576 -0.955 . . . . 0.0 110.615 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.6 -45.8 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.001 -1.062 . . . . 0.0 109.458 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.18 -37.02 84.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 109.551 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -38.75 93.13 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.81 -38.89 92.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.297 -1.119 . . . . 0.0 109.705 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.62 -50.35 63.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.937 -1.102 . . . . 0.0 109.275 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.23 -40.55 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 108.977 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.22 -41.73 93.7 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.77 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.89 -19.8 66.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 108.736 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -92.61 6.11 48.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.411 -0.806 . . . . 0.0 110.422 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.15 7.41 49.81 Favored Glycine 0 N--CA 1.503 3.134 0 O-C-N 120.939 -1.101 . . . . 0.0 112.833 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.77 73.31 1.16 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.593 1.696 . . . . 0.0 108.203 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.9 -11.0 59.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.539 -0.726 . . . . 0.0 111.624 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.39 159.3 42.42 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.711 -1.243 . . . . 0.0 110.561 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.29 91.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -59.62 -19.22 47.59 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.098 -1.626 . . . . 0.0 110.873 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.44 -34.58 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.744 -1.222 . . . . 0.0 108.242 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.72 -34.25 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 15' ' ' MET . 27.2 tp -60.11 -38.74 83.91 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.98 -43.64 94.89 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.189 -1.165 . . . . 0.0 110.189 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.1 -44.52 94.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.773 -1.428 . . . . 0.0 109.41 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -60.05 -40.45 89.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.906 . . . . 0.0 109.201 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.3 mt -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.99 -25.71 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.408 -0.808 . . . . 0.0 110.609 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.34 12.24 14.61 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.057 -1.027 . . . . 0.0 110.851 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.82 38.79 12.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.627 -1.296 . . . . 0.0 110.605 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 59.15 20.0 7.98 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.012 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -67.95 110.14 3.75 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.312 -1.492 . . . . 0.0 108.565 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.8 -41.53 91.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.29 -0.881 . . . . 0.0 112.643 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.29 -39.02 78.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.533 -1.354 . . . . 0.0 110.012 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.66 -39.43 77.05 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.026 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.98 -48.7 75.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 109.484 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -59.98 -48.07 83.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.55 -0.719 . . . . 0.0 110.662 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.36 -37.51 87.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.903 -1.123 . . . . 0.0 108.752 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.08 -46.99 81.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.27 -46.65 73.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.09 -48.37 82.0 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.264 -0.897 . . . . 0.0 109.592 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.3 t0 -69.52 -28.81 66.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.345 -0.847 . . . . 0.0 109.628 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.8 m -76.05 -39.38 55.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.358 -0.839 . . . . 0.0 111.851 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.8 -28.52 1.39 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.377 -1.452 . . . . 0.0 112.406 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.55 19.44 Favored Glycine 0 N--CA 1.499 2.879 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.21 154.74 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -1.229 . . . . 0.0 109.208 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -88.11 169.54 11.84 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.893 -1.13 . . . . 0.0 110.451 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.56 71.11 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.573 -0.704 . . . . 0.0 110.023 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.45 -40.48 70.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.723 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.51 -39.97 85.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.7 m -63.88 -40.0 95.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 110.533 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.2 -36.77 78.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.896 -1.127 . . . . 0.0 109.718 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -68.78 -40.03 79.89 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.743 -1.223 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.97 -40.28 75.47 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.816 -1.178 . . . . 0.0 109.413 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -60.81 -59.98 4.52 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.882 -1.136 . . . . 0.0 109.718 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.63 -33.6 85.58 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.14 -48.94 64.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.817 -1.402 . . . . 0.0 109.514 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.9 -40.16 72.33 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.917 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 82' ' ' ARG . 44.1 ttt-85 -63.82 -40.08 95.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.088 -1.007 . . . . 0.0 110.347 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.1 -39.45 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.165 -0.96 . . . . 0.0 110.583 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.8 t90 -61.03 -46.43 90.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.59 -1.319 . . . . 0.0 108.791 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -60.18 -40.09 88.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.569 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.92 -31.34 68.56 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.83 -34.08 12.6 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.094 -1.004 . . . . 0.0 110.989 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -108.7 -10.81 15.14 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.226 -0.922 . . . . 0.0 113.255 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.504 2.268 0 O-C-N 120.231 -1.543 . . . . 0.0 109.339 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.457 0.646 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -80.02 -70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.367 -0.833 . . . . 0.0 109.915 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -82.45 150.27 27.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 25.9 m -79.08 169.53 18.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.072 -1.018 . . . . 0.0 109.056 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -62.09 -20.67 64.26 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.565 -0.709 . . . . 0.0 109.914 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.24 -40.08 92.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.154 -0.966 . . . . 0.0 109.632 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.03 -49.76 76.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -0.963 . . . . 0.0 110.672 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 87.2 mtm180 -69.81 -35.58 74.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.946 -1.096 . . . . 0.0 109.718 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.1 -39.28 89.84 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.436 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -63.72 -48.98 74.89 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.259 -0.9 . . . . 0.0 110.31 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 m -86.8 6.87 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.035 -1.04 . . . . 0.0 111.228 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -100.61 -18.52 16.54 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -151.42 152.26 30.46 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 120.967 -1.083 . . . . 0.0 109.505 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -39.95 162.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.138 1.892 . . . . 0.0 111.692 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.544 ' HE3' HD22 ' B' ' 46' ' ' LEU . 2.9 ptp -92.02 -31.21 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.972 -1.08 . . . . 0.0 109.777 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.4 -139.26 44.78 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.5 29.87 6.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.484 -1.009 . . . . 0.0 109.896 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -57.88 147.62 62.61 Favored Pre-proline 0 N--CA 1.487 1.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.42 155.19 67.47 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.402 2.068 . . . . 0.0 112.599 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 p -53.98 -40.77 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.585 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.73 -3.91 3.67 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -81.05 -17.33 50.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.816 -1.402 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.3 137.71 57.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 136.61 56.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.56 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.0 -19.22 55.66 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.3 mm -99.7 114.72 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.221 -1.164 . . . . 0.0 108.494 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.18 178.49 38.78 Favored Glycine 0 N--CA 1.494 2.532 0 O-C-N 120.688 -1.258 . . . . 0.0 110.362 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.08 -40.04 83.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.622 -0.929 . . . . 0.0 110.565 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.78 -45.4 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.53 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.56 -36.74 83.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 109.503 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -38.63 93.28 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.9 -38.65 91.69 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.299 -1.118 . . . . 0.0 109.787 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.77 -50.21 63.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.922 -1.111 . . . . 0.0 109.312 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.49 -40.48 97.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.045 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.31 -41.7 94.0 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.782 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.76 -19.76 66.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.845 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -92.61 5.91 49.22 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.459 -0.776 . . . . 0.0 110.493 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 6.88 49.8 Favored Glycine 0 N--CA 1.502 3.092 0 O-C-N 120.991 -1.068 . . . . 0.0 112.756 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -103.4 73.35 1.2 Allowed 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.697 1.748 . . . . 0.0 108.254 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -80.7 -11.18 59.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.754 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.39 159.26 42.51 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.734 -1.229 . . . . 0.0 110.421 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.23 91.01 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -59.83 -18.86 47.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.241 -1.537 . . . . 0.0 110.826 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.69 -34.48 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.712 -1.243 . . . . 0.0 108.184 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 94.4 t -75.79 -34.22 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD22 ' HE3' ' B' ' 15' ' ' MET . 27.2 tp -60.03 -38.68 83.43 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.96 94.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.01 -44.49 94.53 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.844 -1.386 . . . . 0.0 109.555 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.11 -40.51 89.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.286 -0.884 . . . . 0.0 109.145 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.79 -37.59 82.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -25.48 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.438 -0.789 . . . . 0.0 110.661 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.5 12.27 14.87 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.887 -1.133 . . . . 0.0 110.751 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 48.65 38.92 12.4 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.692 -1.255 . . . . 0.0 110.652 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 59.3 20.0 8.18 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.347 -0.846 . . . . 0.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -68.13 109.63 3.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.314 -1.491 . . . . 0.0 108.624 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.42 -41.49 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.36 -0.838 . . . . 0.0 112.711 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.17 -39.21 78.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.573 -1.329 . . . . 0.0 110.031 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 58' ' ' LEU . 94.5 mt -69.48 -39.5 77.63 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.02 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.02 -48.61 75.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.561 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.15 -47.73 84.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 110.638 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -63.47 -37.71 88.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.814 -1.179 . . . . 0.0 108.654 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -63.92 -47.18 81.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.15 -46.67 73.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.059 -1.026 . . . . 0.0 110.045 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -60.21 -48.28 82.38 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.296 -0.878 . . . . 0.0 109.607 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.7 t0 -69.47 -28.91 66.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.604 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.2 m -76.01 -39.34 55.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 0.0 111.876 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -133.87 -28.57 1.38 Allowed 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.354 -1.467 . . . . 0.0 112.301 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.72 14.37 19.66 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 109.186 -1.565 . . . . 0.0 109.186 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 154.59 1.53 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.137 -1.214 . . . . 0.0 109.104 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -88.14 169.5 11.86 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.938 -1.101 . . . . 0.0 110.456 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.74 71.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.594 -0.691 . . . . 0.0 110.036 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.33 -40.44 70.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.036 -1.04 . . . . 0.0 109.734 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -67.49 -40.04 85.21 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.496 -0.753 . . . . 0.0 110.441 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 59.2 m -63.91 -39.87 95.17 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.248 -0.908 . . . . 0.0 110.468 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.23 -36.86 78.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.943 -1.098 . . . . 0.0 109.671 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.9 -39.93 79.44 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.476 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.0 -40.09 75.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.826 -1.171 . . . . 0.0 109.442 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.93 -60.04 4.42 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.934 -1.104 . . . . 0.0 109.609 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.44 -33.77 85.91 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.09 -49.03 63.79 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.807 -1.408 . . . . 0.0 109.505 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.79 -40.21 72.69 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.124 -1.031 . . . . 0.0 109.911 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' B' ' 82' ' ' ARG . 44.2 ttt-85 -63.68 -40.13 96.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.272 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -39.51 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.151 -0.968 . . . . 0.0 110.712 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.596 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 86.0 t90 -61.01 -46.53 90.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.571 -1.331 . . . . 0.0 108.766 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.479 -0.763 . . . . 0.0 109.632 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.91 -31.47 68.67 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.265 -0.897 . . . . 0.0 109.756 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.65 -34.01 12.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.022 -1.049 . . . . 0.0 111.061 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.0 m-85 -108.66 -10.95 15.15 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.298 -0.876 . . . . 0.0 113.182 -176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.505 2.298 0 O-C-N 120.164 -1.585 . . . . 0.0 109.294 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.07 -46.01 0.43 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 108.918 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -81.68 146.12 30.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.615 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.6 t -84.26 167.94 16.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.01 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -60.47 -20.3 59.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.539 -0.725 . . . . 0.0 110.043 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.94 -39.11 88.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.0 109.211 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -56.35 -49.97 72.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 110.293 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -69.95 -34.31 73.26 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.104 -0.997 . . . . 0.0 110.159 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.08 -39.35 75.64 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.404 -0.81 . . . . 0.0 109.76 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -66.76 -42.22 86.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -0.96 . . . . 0.0 110.663 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -82.79 14.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.947 -1.096 . . . . 0.0 109.695 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.09 -9.55 11.67 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.433 -0.792 . . . . 0.0 110.832 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.8 151.1 25.93 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 120.664 -1.273 . . . . 0.0 109.9 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.48 160.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.175 1.917 . . . . 0.0 111.84 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.564 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.19 21.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.43 -139.96 20.35 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.37 28.03 7.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.464 -1.021 . . . . 0.0 110.03 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -60.01 148.22 77.97 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.98 155.97 57.38 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.151 1.901 . . . . 0.0 112.656 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.2 p -55.14 -44.78 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.678 -0.638 . . . . 0.0 110.544 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.75 -2.66 0.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 20' ' ' VAL . 43.3 t -81.34 -21.68 38.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.897 -1.355 . . . . 0.0 109.088 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.69 137.46 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 109.445 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.23 136.88 56.5 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.615 0.721 . . . . 0.0 109.878 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.98 50.82 Favored Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.52 116.33 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.01 173.95 40.12 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.02 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -1.085 . . . . 0.0 110.08 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.14 -46.36 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.038 . . . . 0.0 109.219 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.6 82.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.328 -0.857 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.98 96.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.72 -38.68 88.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -1.095 . . . . 0.0 110.495 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.38 -41.86 93.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.727 -1.233 . . . . 0.0 109.803 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.58 -39.78 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.119 -0.988 . . . . 0.0 109.125 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.538 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -69.0 -19.43 64.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -89.12 0.28 56.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.464 -0.773 . . . . 0.0 110.535 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.38 3.92 37.92 Favored Glycine 0 N--CA 1.505 3.237 0 O-C-N 121.009 -1.057 . . . . 0.0 111.519 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.69 74.92 1.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.874 -1.368 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 36.9 p-10 -78.51 -11.44 59.96 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.471 -0.768 . . . . 0.0 110.33 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.34 159.52 41.85 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.173 -0.954 . . . . 0.0 109.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.01 93.28 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.05 -19.14 51.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.41 -1.431 . . . . 0.0 111.539 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.39 -31.56 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.435 -1.416 . . . . 0.0 107.539 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.7 t -77.96 -36.07 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD22 ' CE ' ' A' ' 15' ' ' MET . 24.3 tp -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.88 98.09 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.1 -41.73 93.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.14 -1.212 . . . . 0.0 109.215 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.04 -40.06 88.07 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.27 -37.75 81.02 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.099 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.16 -27.37 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.203 -0.936 . . . . 0.0 110.537 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.7 mt -89.45 14.38 11.49 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.044 -1.035 . . . . 0.0 110.388 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.6 mttm 47.93 39.46 11.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.866 -1.146 . . . . 0.0 110.356 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 60.06 20.55 9.73 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.499 -0.75 . . . . 0.0 110.468 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.0 111.66 4.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.662 -1.274 . . . . 0.0 108.549 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.328 -0.858 . . . . 0.0 112.497 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.83 -39.96 79.69 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.584 -1.323 . . . . 0.0 110.48 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.72 -39.31 76.92 Favored 'General case' 0 C--N 1.293 -1.863 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.358 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.74 -47.83 83.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.297 -0.877 . . . . 0.0 109.795 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.0 -46.86 88.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 0.0 111.039 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.41 -40.07 95.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.616 -1.302 . . . . 0.0 108.501 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.15 -48.06 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -67.62 -51.21 52.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 110.224 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.64 -48.51 81.46 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.387 -0.821 . . . . 0.0 110.249 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.77 -31.35 71.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -0.802 . . . . 0.0 109.69 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -80.71 -31.52 36.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.339 -0.851 . . . . 0.0 111.598 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 19.2 p -133.09 -34.59 1.08 Allowed 'General case' 0 N--CA 1.504 2.225 0 O-C-N 120.48 -1.388 . . . . 0.0 112.351 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 108.26 16.31 12.5 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.46 1.98 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.033 -1.275 . . . . 0.0 109.516 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -93.89 175.31 6.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.537 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.76 86.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.668 -0.645 . . . . 0.0 110.96 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.64 -40.46 69.7 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.703 -1.248 . . . . 0.0 110.153 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.3 -37.59 80.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 110.523 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.35 -38.15 84.36 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.262 -0.899 . . . . 0.0 109.939 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -60.03 -38.86 83.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.022 -1.049 . . . . 0.0 110.306 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.94 -39.92 87.45 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.668 -1.27 . . . . 0.0 110.504 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.97 -39.92 75.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.78 -60.43 3.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.464 -1.398 . . . . 0.0 110.17 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -32.0 78.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.7 t -70.0 -46.88 64.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.184 -1.186 . . . . 0.0 109.665 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.95 -40.0 75.73 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.037 -1.065 . . . . 0.0 108.938 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.14 -39.89 91.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 110.156 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.57 -38.97 77.62 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.222 -0.924 . . . . 0.0 111.093 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 75.3 t90 -60.06 -44.57 94.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.379 -1.451 . . . . 0.0 108.893 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.8 m -61.96 -40.03 94.17 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.14 -34.49 73.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.81 -38.29 15.84 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.175 -0.953 . . . . 0.0 110.864 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.1 m-85 -102.86 -84.85 0.45 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.147 -0.971 . . . . 0.0 110.082 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 N--CA 1.497 1.888 0 O-C-N 120.677 -1.264 . . . . 0.0 109.276 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.03 -46.02 0.43 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.283 -0.885 . . . . 0.0 108.967 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -81.71 146.2 30.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 109.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 32.4 t -84.28 167.88 16.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.021 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -60.46 -20.3 59.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -60.92 -39.17 88.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 109.243 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -56.4 -49.91 73.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 110.257 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.93 -34.41 73.43 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.094 -1.004 . . . . 0.0 110.175 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.95 -39.28 76.15 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.341 -0.849 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.79 -42.34 86.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.649 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.1 m -82.62 14.46 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.932 -1.105 . . . . 0.0 109.77 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.01 -9.4 11.75 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.516 -0.74 . . . . 0.0 110.861 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.9 151.07 25.71 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.659 -1.275 . . . . 0.0 109.83 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.47 160.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.186 1.924 . . . . 0.0 111.797 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.551 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.9 ptp -90.84 -22.34 21.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.051 -1.031 . . . . 0.0 109.556 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.71 -139.96 21.9 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -105.47 28.06 7.76 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.595 -0.944 . . . . 0.0 109.952 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -59.98 148.05 78.2 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -62.86 155.98 56.7 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.242 1.962 . . . . 0.0 112.652 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.3 p -55.16 -44.74 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.53 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.85 -2.72 0.38 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 20' ' ' VAL . 43.3 t -81.16 -21.75 39.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.933 -1.334 . . . . 0.0 109.128 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.66 137.43 58.09 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 137.04 56.7 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.692 0.758 . . . . 0.0 109.723 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.92 -19.92 51.25 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -96.5 116.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.07 173.95 40.02 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -39.97 83.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.414 -1.051 . . . . 0.0 110.219 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.03 -46.41 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.023 -1.048 . . . . 0.0 109.353 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.28 -39.57 82.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.32 -0.863 . . . . 0.0 109.34 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.06 96.45 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -61.83 -38.6 88.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.49 -41.85 92.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.657 -1.277 . . . . 0.0 109.764 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 109.121 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.93 -40.08 87.72 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.526 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.93 -19.37 64.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.823 . . . . 0.0 109.265 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -89.21 0.21 56.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.506 -0.746 . . . . 0.0 110.482 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 3.91 37.84 Favored Glycine 0 N--CA 1.504 3.179 0 O-C-N 121.041 -1.037 . . . . 0.0 111.472 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.51 74.78 1.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.899 -1.354 . . . . 0.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 37.3 p-10 -78.37 -11.63 59.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.484 -0.76 . . . . 0.0 110.282 -178.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -138.15 159.49 41.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.093 -1.004 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.18 93.32 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -60.03 -18.82 49.13 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.382 -1.449 . . . . 0.0 111.526 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -77.53 -31.78 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.429 -1.419 . . . . 0.0 107.445 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.74 -36.12 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.551 HD22 ' CE ' ' B' ' 15' ' ' MET . 24.3 tp -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.94 98.06 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.22 -41.76 93.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.133 -1.216 . . . . 0.0 109.143 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.99 -40.04 87.83 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.23 -37.59 80.99 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.067 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.38 -27.32 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.16 -0.962 . . . . 0.0 110.498 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.47 14.35 11.57 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.035 -1.04 . . . . 0.0 110.371 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 67.6 mttm 47.95 39.49 11.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 60.1 20.67 9.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.574 -0.704 . . . . 0.0 110.415 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.17 111.61 4.62 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.57 -1.331 . . . . 0.0 108.564 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.25 -40.25 93.76 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.349 -0.844 . . . . 0.0 112.551 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -68.97 -40.05 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.515 -1.365 . . . . 0.0 110.433 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.51 -39.54 77.51 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.374 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.6 -47.96 83.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.309 -0.869 . . . . 0.0 109.768 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 111.084 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.43 -40.05 95.33 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.568 -1.333 . . . . 0.0 108.459 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' B' ' 66' ' ' THR . 58.5 t90 -62.22 -48.14 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 110.571 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.6 -51.04 54.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 0.0 110.277 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.77 -48.47 81.66 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.432 -0.793 . . . . 0.0 110.228 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -67.79 -31.39 71.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.669 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 87.7 m -80.71 -31.46 36.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 0.0 111.673 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 19.4 p -133.16 -34.46 1.08 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.505 -1.372 . . . . 0.0 112.331 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 108.16 16.14 12.97 Favored Glycine 0 N--CA 1.501 2.987 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.55 152.43 1.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.008 -1.289 . . . . 0.0 109.53 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.405 ' CG ' ' H ' ' B' ' 71' ' ' ALA . 55.5 t30 -93.9 175.34 6.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.134 -0.978 . . . . 0.0 110.506 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.405 ' H ' ' CG ' ' B' ' 70' ' ' ASN . . . -60.04 -39.83 87.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.781 -0.575 . . . . 0.0 110.957 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.696 -1.252 . . . . 0.0 110.144 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -68.35 -37.58 80.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.349 -0.844 . . . . 0.0 110.485 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -67.32 -38.28 84.66 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -59.93 -38.94 83.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 0.0 110.308 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.88 -40.01 87.65 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.556 -1.34 . . . . 0.0 110.486 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -69.83 -40.0 76.12 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.93 -1.106 . . . . 0.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.71 -60.55 3.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.397 -1.44 . . . . 0.0 110.224 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.75 -32.15 78.02 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.89 -46.92 64.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.144 -1.21 . . . . 0.0 109.71 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.98 -40.02 75.6 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.862 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.04 -40.03 92.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.296 -0.877 . . . . 0.0 110.089 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.43 -39.0 78.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 111.149 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.617 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 75.0 t90 -59.96 -44.78 94.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.393 -1.442 . . . . 0.0 108.86 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.92 -39.95 93.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.433 -0.792 . . . . 0.0 109.844 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.05 -34.79 73.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 110.062 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.63 -38.31 16.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.163 -0.961 . . . . 0.0 110.906 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.9 m-85 -102.84 -84.71 0.46 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.114 -0.991 . . . . 0.0 110.106 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.496 1.837 0 O-C-N 120.745 -1.222 . . . . 0.0 109.215 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -81.05 163.87 22.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 p -75.67 163.57 27.17 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.28 -0.887 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.93 32.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 0.0 109.277 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.37 -19.23 65.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.562 -0.711 . . . . 0.0 109.944 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.71 -38.38 90.2 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.083 -1.011 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -58.92 -53.39 58.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.867 . . . . 0.0 110.913 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.59 -32.09 70.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.587 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -70.02 -38.71 75.98 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -65.29 -46.54 80.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.352 -0.843 . . . . 0.0 110.25 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.8 13.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 109.953 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.01 -10.35 13.5 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.525 -0.734 . . . . 0.0 109.957 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.69 152.16 28.12 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.024 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -43.06 159.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.762 1.642 . . . . 0.0 111.781 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.568 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -91.43 -21.48 20.93 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.002 -1.062 . . . . 0.0 109.963 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.98 -138.61 20.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.445 -1.032 . . . . 0.0 110.566 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.58 86.74 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.87 -1.143 . . . . 0.0 108.436 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.64 158.69 48.81 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.449 2.099 . . . . 0.0 113.191 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -53.63 -48.04 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.415 0.626 . . . . 0.0 110.575 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.603 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.5 -2.95 0.53 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 20' ' ' VAL . 61.8 m -81.39 -22.55 38.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.643 -1.504 . . . . 0.0 108.589 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.25 138.26 58.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.526 -0.734 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 137.39 57.84 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.781 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.0 54.96 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -100.5 120.02 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.198 -1.177 . . . . 0.0 108.492 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 177.96 36.29 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 39.2 mp0 -58.98 -39.99 83.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -1.035 . . . . 0.0 110.746 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.59 -44.89 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.889 -1.132 . . . . 0.0 109.522 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.72 -37.1 85.49 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -40.02 97.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.67 -39.92 95.45 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -1.157 . . . . 0.0 110.513 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.5 -45.5 75.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.647 -1.283 . . . . 0.0 109.868 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.06 -39.33 92.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.9 -1.125 . . . . 0.0 108.566 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -40.47 89.33 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.306 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.72 -18.79 64.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 108.705 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.66 1.01 56.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.602 -0.686 . . . . 0.0 109.911 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.61 4.53 49.2 Favored Glycine 0 N--CA 1.502 3.067 0 O-C-N 120.966 -1.084 . . . . 0.0 111.772 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.88 75.61 1.31 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.875 -1.368 . . . . 0.0 108.998 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -83.28 -13.14 55.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 109.892 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -127.54 150.02 49.88 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.298 -0.876 . . . . 0.0 109.146 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.0 91.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.79 . . . . 0.0 111.76 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -59.59 -18.99 45.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.673 -1.267 . . . . 0.0 110.984 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.64 -33.53 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.61 -37.63 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE ' ' A' ' 15' ' ' MET . 13.2 tp -60.05 -37.94 81.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.38 -42.35 93.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.0 -41.21 91.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.094 -1.239 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.05 -40.04 88.07 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' B' ' 50' ' ' LEU . 85.7 mt -68.34 -38.69 81.72 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.153 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.44 -28.97 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.182 -0.949 . . . . 0.0 110.666 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.59 14.94 7.38 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.065 -1.022 . . . . 0.0 109.953 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 47.61 39.82 10.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.902 -1.124 . . . . 0.0 110.232 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 60.03 20.01 9.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.642 -0.662 . . . . 0.0 110.681 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -70.0 110.02 4.85 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.591 -1.318 . . . . 0.0 108.73 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.74 -40.07 95.84 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.35 -0.844 . . . . 0.0 112.844 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.8 m-20 -68.28 -39.96 81.99 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.284 -1.51 . . . . 0.0 110.117 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.11 -38.94 69.2 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.736 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.26 -49.99 69.69 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.044 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.1 mtm180 -60.35 -45.12 94.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.116 -0.99 . . . . 0.0 110.51 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.923 -1.11 . . . . 0.0 108.995 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -64.71 -46.01 84.15 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.27 -49.84 52.44 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 110.658 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.32 -49.01 79.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 110.022 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -67.73 -28.7 67.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.921 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 m -80.08 -34.17 38.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.309 -0.869 . . . . 0.0 111.205 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -131.16 -29.38 1.84 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.547 -1.346 . . . . 0.0 112.085 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.9 14.92 19.85 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 152.81 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 109.621 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.71 170.01 11.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.37 70.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.386 -0.821 . . . . 0.0 110.159 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -72.8 -41.1 65.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 110.159 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.9 -37.94 82.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 110.078 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.6 m -66.12 -39.02 89.59 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.244 -0.91 . . . . 0.0 110.37 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -59.96 -37.01 78.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.048 -1.033 . . . . 0.0 109.73 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.34 -39.32 81.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.716 -1.24 . . . . 0.0 110.703 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.2 -40.0 78.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 110.388 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.65 -60.54 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.684 -1.26 . . . . 0.0 110.222 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.43 -30.77 72.3 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 -49.53 55.26 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.046 -1.267 . . . . 0.0 109.879 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.99 -40.28 71.98 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 82' ' ' ARG . 31.2 ttt-85 -63.69 -40.06 95.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.1 -1.0 . . . . 0.0 110.426 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.01 -38.25 75.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 110.811 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.653 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 88.8 t90 -60.74 -43.17 98.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.393 -1.442 . . . . 0.0 108.634 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' LEU . 93.5 m -61.46 -40.02 92.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.565 -0.709 . . . . 0.0 109.777 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.86 -31.46 68.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.865 . . . . 0.0 110.003 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.12 -33.1 13.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.073 -1.017 . . . . 0.0 110.747 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 85.6 m-85 -108.47 -4.12 17.57 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 112.019 -177.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.482 -1.386 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.4 p -81.02 163.69 23.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.86 . . . . 0.0 109.473 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 62.0 p -75.55 163.58 27.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.567 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -69.92 159.96 32.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.384 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.39 -19.21 65.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.519 -0.738 . . . . 0.0 109.93 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.65 -38.45 90.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.02 -1.05 . . . . 0.0 109.393 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.87 -53.36 59.29 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.273 -0.892 . . . . 0.0 110.855 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.82 -31.94 70.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.113 -0.992 . . . . 0.0 109.627 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.01 -38.59 75.97 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.601 -0.687 . . . . 0.0 109.682 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -65.44 -46.62 79.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.374 -0.829 . . . . 0.0 110.292 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -82.48 12.7 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.018 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.86 -10.25 13.58 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.522 -0.736 . . . . 0.0 109.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.77 152.19 28.05 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.982 -1.074 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -43.13 160.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.771 1.648 . . . . 0.0 111.677 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.563 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.0 ptp -91.37 -21.72 20.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.049 -1.032 . . . . 0.0 109.98 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.36 -138.5 22.72 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -106.82 29.67 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.509 -0.995 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.25 147.6 86.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 108.444 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.7 158.74 48.8 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.476 2.117 . . . . 0.0 113.209 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.593 HG13 ' N ' ' B' ' 21' ' ' GLY . 9.8 p -53.54 -48.26 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 CA-C-O 121.419 0.628 . . . . 0.0 110.554 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.593 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.33 -3.26 0.56 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 61.2 m -81.07 -22.62 39.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.67 -1.488 . . . . 0.0 108.595 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.24 138.4 58.42 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 137.63 57.95 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.662 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -19.14 54.51 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.52 119.97 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.212 -1.17 . . . . 0.0 108.587 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.59 178.04 36.37 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' B' ' 28' ' ' GLU . 39.1 mp0 -59.0 -40.05 83.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.432 -1.04 . . . . 0.0 110.719 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.64 -44.7 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.888 -1.132 . . . . 0.0 109.586 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.82 -37.18 85.53 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.634 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.03 97.32 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.61 -39.95 95.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.235 -1.156 . . . . 0.0 110.521 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -67.58 -45.56 75.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.706 -1.246 . . . . 0.0 109.863 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -62.01 -39.27 91.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.992 -1.068 . . . . 0.0 108.624 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -40.29 88.92 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.679 -0.809 . . . . 0.0 109.398 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.84 -18.74 64.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 108.72 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -89.54 0.65 56.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 109.921 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.51 48.72 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 121.124 -0.985 . . . . 0.0 111.832 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.7 75.48 1.31 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.895 -1.356 . . . . 0.0 109.066 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -82.97 -13.41 56.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 109.95 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -127.39 150.0 49.82 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 109.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.0 92.03 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.474 -0.766 . . . . 0.0 111.769 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -59.6 -18.71 43.48 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.774 -1.204 . . . . 0.0 111.062 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.74 -33.68 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.6 -37.64 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.563 HD22 ' CE ' ' B' ' 15' ' ' MET . 12.6 tp -59.97 -37.62 80.13 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.87 -42.06 94.47 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.05 -41.32 92.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.034 -1.274 . . . . 0.0 108.87 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 50' ' ' LEU . 85.7 mt -68.4 -38.3 81.16 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.81 -29.07 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.164 -0.96 . . . . 0.0 110.573 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.35 14.63 7.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.04 -1.038 . . . . 0.0 110.037 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 48.05 39.53 11.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.938 -1.101 . . . . 0.0 110.175 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 59.95 20.68 9.71 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.551 -0.718 . . . . 0.0 110.581 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -70.32 109.77 4.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.564 -1.335 . . . . 0.0 108.807 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.54 -40.02 95.94 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.454 -0.779 . . . . 0.0 112.879 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.9 m-20 -68.36 -39.97 81.64 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.309 -1.494 . . . . 0.0 110.107 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.01 -39.2 69.37 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.967 -1.093 . . . . 0.0 108.726 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.08 -49.93 70.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 81.0 mtm180 -60.43 -44.75 95.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 110.593 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -63.31 -36.48 83.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.844 -1.16 . . . . 0.0 108.979 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -64.5 -46.34 83.38 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.379 -0.825 . . . . 0.0 111.006 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.03 -49.64 55.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.953 . . . . 0.0 110.759 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.51 -48.97 79.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.977 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 32.1 t0 -67.79 -28.68 67.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.688 . . . . 0.0 109.957 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.6 m -79.95 -34.38 38.85 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.272 -0.893 . . . . 0.0 111.215 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.4 p -131.14 -29.07 1.87 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.576 -1.327 . . . . 0.0 112.012 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.72 14.65 20.88 Favored Glycine 0 N--CA 1.5 2.913 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.22 152.76 2.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.202 -1.175 . . . . 0.0 109.623 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.64 170.21 11.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.083 -1.011 . . . . 0.0 109.596 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.05 -32.63 71.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.411 -0.805 . . . . 0.0 110.11 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -41.08 65.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.858 -1.151 . . . . 0.0 110.121 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -67.81 -38.01 82.71 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.281 -0.887 . . . . 0.0 110.202 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -66.05 -39.11 89.85 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.256 -0.903 . . . . 0.0 110.31 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -59.95 -37.15 78.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.908 -1.12 . . . . 0.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.21 -39.23 82.46 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.742 -1.224 . . . . 0.0 110.627 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -69.29 -40.0 78.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.88 -1.138 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -58.64 -60.87 3.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.654 -1.279 . . . . 0.0 110.09 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -30.79 71.3 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -69.35 -49.26 57.2 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.072 -1.252 . . . . 0.0 109.916 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.21 -40.31 71.2 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.01 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' B' ' 82' ' ' ARG . 31.5 ttt-85 -63.6 -39.92 95.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.135 -0.978 . . . . 0.0 110.511 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.02 -38.4 75.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 110.724 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 88.9 t90 -60.63 -43.25 97.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.39 -1.444 . . . . 0.0 108.605 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.3 m -61.38 -39.95 92.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.703 . . . . 0.0 109.803 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -58.83 -31.73 68.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.873 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.97 -32.85 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.222 -0.924 . . . . 0.0 110.823 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -108.87 -3.6 17.5 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.302 -0.874 . . . . 0.0 112.086 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.9 tp . . . . . 0 N--CA 1.497 1.885 0 O-C-N 120.545 -1.347 . . . . 0.0 109.281 179.573 . . . . . . . . 1 1 . 1 stop_ save_