data_2jwd_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 2jwd _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 ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.735 0.302 . . . . 62.119999999999997 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.099999999999994 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.519999999999996 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.129999999999995 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.329999999999998 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.209999999999994 111.153 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.120000000000005 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.549999999999997 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.230000000000004 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.009999999999998 111.869 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.009999999999998 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.409999999999997 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.439999999999998 113.014 -175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.559 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.450000000000003 109.27 178.181 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.010000000000005 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.430000000000007 111.435 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.019999999999996 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.219999999999999 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.329999999999998 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.329999999999998 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.520000000000003 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.439999999999998 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.109999999999999 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.329999999999998 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.230000000000004 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.140000000000001 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.400000000000006 113.657 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.100000000000001 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.209999999999994 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.230000000000004 110.415 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.539999999999999 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.409999999999997 110.947 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.049999999999997 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.310000000000002 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.010000000000005 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.310000000000002 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.319999999999993 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.340000000000003 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.550000000000001 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.183 0.516 . . . . 62.119999999999997 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.099999999999994 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.519999999999996 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.129999999999995 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.329999999999998 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.209999999999994 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.120000000000005 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HA ' HH21 ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.549999999999997 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.230000000000004 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.009999999999998 112.493 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.009999999999998 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.409999999999997 113.231 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.439999999999998 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.544 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.450000000000003 110.094 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.010000000000005 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG3' HD22 ' A' ' 24' ' ' ASN . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.430000000000007 111.751 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 HH21 ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.019999999999996 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.340000000000003 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.219999999999999 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.329999999999998 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.329999999999998 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.520000000000003 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.439999999999998 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.109999999999999 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.019999999999996 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.329999999999998 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.230000000000004 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.140000000000001 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.400000000000006 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.100000000000001 109.841 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.209999999999994 110.168 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.230000000000004 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.539999999999999 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.409999999999997 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.049999999999997 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.310000000000002 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.010000000000005 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.310000000000002 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.319999999999993 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.340000000000003 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' CD1' ' A' ' 23' ' ' LEU . 19.9 t-20 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.550000000000001 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.532 0.206 . . . . 62.119999999999997 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.099999999999994 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.519999999999996 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.129999999999995 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.329999999999998 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.209999999999994 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.120000000000005 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.549999999999997 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.230000000000004 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.009999999999998 111.919 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.009999999999998 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.409999999999997 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.439999999999998 112.414 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.450000000000003 109.467 178.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.010000000000005 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.65 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.430000000000007 110.529 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.019999999999996 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.340000000000003 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.219999999999999 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.329999999999998 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.329999999999998 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.520000000000003 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.439999999999998 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.109999999999999 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.019999999999996 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.329999999999998 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.230000000000004 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 41' ' ' GLN . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.140000000000001 111.472 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' HG ' ' A' ' 40' ' ' SER . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.400000000000006 113.499 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.100000000000001 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.209999999999994 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.230000000000004 110.951 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.539999999999999 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.409999999999997 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.049999999999997 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.310000000000002 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.010000000000005 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.310000000000002 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.319999999999993 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.340000000000003 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.550000000000001 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 111.959 0.355 . . . . 62.119999999999997 111.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.099999999999994 110.511 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.519999999999996 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.129999999999995 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.329999999999998 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.209999999999994 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.120000000000005 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.549999999999997 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.230000000000004 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.009999999999998 113.005 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.009999999999998 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.409999999999997 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.439999999999998 112.121 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.450000000000003 108.981 179.106 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.010000000000005 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.430000000000007 111.224 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.019999999999996 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.340000000000003 110.893 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.219999999999999 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.329999999999998 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 32' ' ' ILE . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.329999999999998 112.67 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.520000000000003 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.439999999999998 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.109999999999999 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.019999999999996 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.329999999999998 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.230000000000004 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.140000000000001 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.400000000000006 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.100000000000001 109.479 -178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.209999999999994 109.541 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.230000000000004 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.539999999999999 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.409999999999997 111.807 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.049999999999997 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.310000000000002 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.010000000000005 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.310000000000002 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.319999999999993 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.340000000000003 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.550000000000001 111.412 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.754 0.311 . . . . 62.119999999999997 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.099999999999994 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.519999999999996 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.129999999999995 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.329999999999998 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.209999999999994 111.705 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.120000000000005 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.549999999999997 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.230000000000004 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.009999999999998 113.325 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.009999999999998 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.409999999999997 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.439999999999998 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.450000000000003 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.010000000000005 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.430000000000007 110.247 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.019999999999996 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.507 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.0 t-20 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.340000000000003 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.219999999999999 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.329999999999998 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.329999999999998 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.9 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.520000000000003 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.439999999999998 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.109999999999999 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.019999999999996 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.329999999999998 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.230000000000004 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.140000000000001 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.400000000000006 113.677 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.100000000000001 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.209999999999994 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.230000000000004 110.905 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.539999999999999 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.409999999999997 111.005 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.049999999999997 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.310000000000002 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.010000000000005 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.310000000000002 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.319999999999993 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.340000000000003 111.277 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.550000000000001 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.906 0.384 . . . . 62.119999999999997 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.099999999999994 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.519999999999996 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.129999999999995 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.329999999999998 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.209999999999994 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.120000000000005 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.549999999999997 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.230000000000004 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.009999999999998 112.718 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.009999999999998 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.409999999999997 113.293 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.439999999999998 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.543 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.450000000000003 110.016 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.010000000000005 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HG3' HD22 ' A' ' 24' ' ' ASN . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.430000000000007 111.043 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.019999999999996 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.0 t-20 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.340000000000003 113.029 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.219999999999999 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.329999999999998 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.329999999999998 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.520000000000003 112.369 -178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.109999999999999 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.019999999999996 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.329999999999998 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.230000000000004 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.140000000000001 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.400000000000006 113.513 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.100000000000001 109.543 -178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.209999999999994 109.988 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.230000000000004 110.933 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.539999999999999 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.409999999999997 111.154 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.049999999999997 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.310000000000002 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.010000000000005 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.310000000000002 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.319999999999993 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.340000000000003 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.434 HD21 ' CD1' ' A' ' 23' ' ' LEU . 19.6 t-20 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.550000000000001 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.779 0.323 . . . . 62.119999999999997 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.099999999999994 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.519999999999996 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.129999999999995 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.329999999999998 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.209999999999994 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.120000000000005 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.549999999999997 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.230000000000004 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.009999999999998 111.501 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.009999999999998 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.409999999999997 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.439999999999998 112.232 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.450000000000003 108.686 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.010000000000005 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.49 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.430000000000007 110.94 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.019999999999996 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.340000000000003 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.219999999999999 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 34' ' ' SER . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.329999999999998 111.505 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.329999999999998 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.520000000000003 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 31' ' ' PHE . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.439999999999998 111.038 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 34' ' ' SER . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.109999999999999 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.329999999999998 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.230000000000004 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.140000000000001 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.400000000000006 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.100000000000001 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.209999999999994 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.230000000000004 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.539999999999999 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.409999999999997 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.049999999999997 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.310000000000002 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.010000000000005 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.310000000000002 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.319999999999993 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.340000000000003 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.550000000000001 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 111.106 0.039 . . . . 62.119999999999997 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.099999999999994 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.519999999999996 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.129999999999995 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.329999999999998 111.951 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.209999999999994 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.120000000000005 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.549999999999997 111.748 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.230000000000004 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.009999999999998 111.764 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.009999999999998 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.409999999999997 113.254 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.439999999999998 112.378 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.574 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.450000000000003 109.487 178.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.010000000000005 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.430000000000007 111.336 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.019999999999996 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.340000000000003 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.219999999999999 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.329999999999998 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.329999999999998 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.520000000000003 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.439999999999998 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.109999999999999 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.019999999999996 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.329999999999998 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.230000000000004 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.140000000000001 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.400000000000006 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.100000000000001 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.209999999999994 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.230000000000004 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.539999999999999 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.409999999999997 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.049999999999997 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.310000000000002 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.010000000000005 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.310000000000002 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.319999999999993 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.340000000000003 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.550000000000001 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.23 0.538 . . . . 62.119999999999997 109.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.099999999999994 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.519999999999996 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.129999999999995 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.329999999999998 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.209999999999994 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.120000000000005 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.549999999999997 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.230000000000004 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.009999999999998 112.444 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.009999999999998 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.409999999999997 111.946 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.439999999999998 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.450000000000003 108.916 178.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.010000000000005 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.430000000000007 111.555 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.019999999999996 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.7 t-20 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.340000000000003 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.219999999999999 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.329999999999998 112.722 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.329999999999998 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.4 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.520000000000003 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 31' ' ' PHE . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.439999999999998 111.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.109999999999999 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.019999999999996 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.329999999999998 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.230000000000004 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.140000000000001 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.400000000000006 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.100000000000001 112.182 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.209999999999994 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.230000000000004 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.539999999999999 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.409999999999997 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.049999999999997 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.310000000000002 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.010000000000005 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.310000000000002 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.319999999999993 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.340000000000003 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.616 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.9 t-20 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.550000000000001 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.86 0.362 . . . . 62.119999999999997 110.553 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.589 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.519999999999996 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.129999999999995 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.329999999999998 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.209999999999994 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.120000000000005 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.549999999999997 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.230000000000004 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.009999999999998 111.633 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.009999999999998 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.409999999999997 113.14 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.439999999999998 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.559 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.450000000000003 109.477 178.397 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.010000000000005 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.430000000000007 110.761 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.019999999999996 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.340000000000003 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.219999999999999 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.329999999999998 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.329999999999998 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.520000000000003 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.439999999999998 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.109999999999999 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.019999999999996 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.329999999999998 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.230000000000004 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.140000000000001 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.400000000000006 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.100000000000001 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.209999999999994 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.230000000000004 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.539999999999999 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.409999999999997 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.049999999999997 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.310000000000002 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.010000000000005 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.310000000000002 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.319999999999993 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.340000000000003 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.550000000000001 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 111.725 0.268 . . . . 62.119999999999997 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.099999999999994 110.174 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.519999999999996 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.129999999999995 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.329999999999998 113.009 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.209999999999994 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.120000000000005 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.549999999999997 111.69 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.230000000000004 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.009999999999998 112.587 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.009999999999998 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.409999999999997 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.439999999999998 112.648 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.450000000000003 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.010000000000005 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.430000000000007 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.019999999999996 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.340000000000003 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.219999999999999 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.329999999999998 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.329999999999998 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.520000000000003 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.439999999999998 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.109999999999999 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.329999999999998 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.230000000000004 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.140000000000001 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.400000000000006 113.751 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.100000000000001 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.209999999999994 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.230000000000004 110.261 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.539999999999999 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.409999999999997 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.049999999999997 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.310000000000002 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.010000000000005 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.310000000000002 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.319999999999993 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.340000000000003 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.550000000000001 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.667 0.247 . . . . 62.119999999999997 111.667 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.099999999999994 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.519999999999996 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.129999999999995 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.329999999999998 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.209999999999994 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.120000000000005 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.549999999999997 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.230000000000004 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.009999999999998 111.98 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.009999999999998 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.409999999999997 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.439999999999998 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.555 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.450000000000003 108.519 177.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.010000000000005 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.528 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.430000000000007 111.407 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.019999999999996 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.340000000000003 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.219999999999999 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.329999999999998 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.329999999999998 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.520000000000003 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.439999999999998 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.109999999999999 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.019999999999996 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.329999999999998 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.230000000000004 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.140000000000001 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.400000000000006 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.100000000000001 110.041 -177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.493 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.209999999999994 110.118 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.539999999999999 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.409999999999997 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.049999999999997 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.310000000000002 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.010000000000005 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.310000000000002 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.319999999999993 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.340000000000003 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.550000000000001 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 111.616 0.228 . . . . 62.119999999999997 111.616 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.099999999999994 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.519999999999996 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.129999999999995 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.329999999999998 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.209999999999994 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.120000000000005 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.549999999999997 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.230000000000004 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.009999999999998 112.155 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.009999999999998 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.409999999999997 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.439999999999998 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.450000000000003 109.818 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.010000000000005 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.430000000000007 111.115 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.019999999999996 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.340000000000003 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.219999999999999 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.329999999999998 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.329999999999998 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.520000000000003 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.439999999999998 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.109999999999999 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.019999999999996 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.329999999999998 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.230000000000004 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.140000000000001 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.400000000000006 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.100000000000001 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.209999999999994 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.230000000000004 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.539999999999999 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.409999999999997 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.049999999999997 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.310000000000002 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.010000000000005 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.310000000000002 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.319999999999993 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.340000000000003 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.550000000000001 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.635 -0.505 . . . . 62.119999999999997 109.635 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.099999999999994 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.519999999999996 110.248 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.129999999999995 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.329999999999998 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.209999999999994 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.120000000000005 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.549999999999997 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.230000000000004 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.009999999999998 112.066 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.009999999999998 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.409999999999997 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.628 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.439999999999998 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.474 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.450000000000003 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.010000000000005 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.430000000000007 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.019999999999996 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.340000000000003 111.647 179.456 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.219999999999999 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.329999999999998 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.329999999999998 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.520000000000003 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.439999999999998 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.109999999999999 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.019999999999996 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.329999999999998 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.230000000000004 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.140000000000001 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.400000000000006 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.100000000000001 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.209999999999994 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.230000000000004 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.539999999999999 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.409999999999997 110.192 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.049999999999997 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.310000000000002 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.010000000000005 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.310000000000002 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.319999999999993 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.340000000000003 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.550000000000001 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.365 0.126 . . . . 62.119999999999997 111.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.099999999999994 110.512 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.519999999999996 110.599 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.129999999999995 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.329999999999998 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.209999999999994 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.120000000000005 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.549999999999997 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.230000000000004 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.009999999999998 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.009999999999998 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.409999999999997 112.282 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.439999999999998 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.450000000000003 109.681 178.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.010000000000005 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.430000000000007 110.725 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.019999999999996 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.340000000000003 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.219999999999999 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.329999999999998 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.329999999999998 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.520000000000003 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.439999999999998 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' CB ' ' HZ1' ' A' ' 36' ' ' LYS . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.109999999999999 111.79 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.019999999999996 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.329999999999998 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.230000000000004 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.140000000000001 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.400000000000006 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.100000000000001 110.414 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.209999999999994 109.65 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.230000000000004 110.972 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.539999999999999 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.409999999999997 111.662 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.049999999999997 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.310000000000002 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.010000000000005 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.310000000000002 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.319999999999993 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.340000000000003 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.550000000000001 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 62.119999999999997 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.099999999999994 110.744 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.519999999999996 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.129999999999995 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.329999999999998 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.209999999999994 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.120000000000005 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.549999999999997 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.230000000000004 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.009999999999998 111.465 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.009999999999998 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.409999999999997 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.439999999999998 111.63 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.562 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.450000000000003 109.164 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.010000000000005 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.430000000000007 111.122 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.019999999999996 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.340000000000003 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.219999999999999 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.329999999999998 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.329999999999998 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.520000000000003 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.439999999999998 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.109999999999999 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.019999999999996 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.329999999999998 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.230000000000004 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.140000000000001 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.400000000000006 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.100000000000001 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.209999999999994 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.230000000000004 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.539999999999999 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.409999999999997 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.049999999999997 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.310000000000002 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.010000000000005 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.310000000000002 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.319999999999993 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.340000000000003 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.550000000000001 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.937 0.398 . . . . 62.119999999999997 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.099999999999994 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.519999999999996 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.129999999999995 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.329999999999998 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.209999999999994 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.120000000000005 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.549999999999997 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.230000000000004 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.009999999999998 113.076 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.009999999999998 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.409999999999997 113.049 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.439999999999998 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.541 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.450000000000003 110.521 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.010000000000005 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.430000000000007 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.019999999999996 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.340000000000003 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.219999999999999 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.329999999999998 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.329999999999998 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.520000000000003 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.439999999999998 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.109999999999999 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.019999999999996 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.329999999999998 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.230000000000004 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.140000000000001 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.400000000000006 113.352 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.100000000000001 109.548 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.209999999999994 109.66 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.230000000000004 110.757 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.539999999999999 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.409999999999997 111.401 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.049999999999997 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.310000000000002 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.010000000000005 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.310000000000002 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.319999999999993 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.340000000000003 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.550000000000001 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.582 0.586 . . . . 62.119999999999997 112.582 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.099999999999994 109.874 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.519999999999996 111.667 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.129999999999995 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.329999999999998 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.209999999999994 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.120000000000005 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.549999999999997 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.230000000000004 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.009999999999998 111.565 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.009999999999998 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.409999999999997 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.439999999999998 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.469 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.450000000000003 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.010000000000005 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.430000000000007 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.019999999999996 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.340000000000003 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.219999999999999 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.329999999999998 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.329999999999998 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.520000000000003 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.439999999999998 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.109999999999999 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.019999999999996 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.329999999999998 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.230000000000004 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.140000000000001 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.400000000000006 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.100000000000001 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.209999999999994 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.230000000000004 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.539999999999999 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.409999999999997 112.019 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.049999999999997 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.310000000000002 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.010000000000005 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.310000000000002 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.319999999999993 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.340000000000003 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.550000000000001 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.53 0.196 . . . . 62.119999999999997 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.099999999999994 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.519999999999996 112.132 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.129999999999995 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.329999999999998 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.209999999999994 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.120000000000005 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.549999999999997 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.230000000000004 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.009999999999998 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.009999999999998 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.409999999999997 113.093 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.439999999999998 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.450000000000003 110.66 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.010000000000005 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.430000000000007 110.35 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.019999999999996 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.340000000000003 112.552 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.219999999999999 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.329999999999998 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.329999999999998 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.520000000000003 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.439999999999998 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.109999999999999 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.019999999999996 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.329999999999998 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.230000000000004 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.140000000000001 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.400000000000006 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.100000000000001 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.209999999999994 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.230000000000004 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.539999999999999 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.409999999999997 112.196 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.049999999999997 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.310000000000002 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.010000000000005 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.310000000000002 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.319999999999993 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.340000000000003 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.550000000000001 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.882 0.372 . . . . 62.119999999999997 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.099999999999994 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.519999999999996 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.129999999999995 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.329999999999998 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.209999999999994 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.120000000000005 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.549999999999997 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.230000000000004 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.009999999999998 112.982 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.009999999999998 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.409999999999997 114.021 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.439999999999998 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.450000000000003 110.173 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.010000000000005 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.430000000000007 110.714 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.019999999999996 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.340000000000003 111.418 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.219999999999999 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.329999999999998 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.329999999999998 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.520000000000003 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.439999999999998 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.109999999999999 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.019999999999996 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.329999999999998 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.230000000000004 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.140000000000001 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.400000000000006 113.021 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.100000000000001 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.209999999999994 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.230000000000004 110.906 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.539999999999999 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.409999999999997 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.049999999999997 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.310000000000002 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.010000000000005 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.310000000000002 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.319999999999993 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.340000000000003 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.550000000000001 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.847 0.356 . . . . 62.119999999999997 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.582 ' C ' HD21 ' A' ' 12' ' ' ASN . 0.1 OUTLIER -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.099999999999994 111.009 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.519999999999996 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.129999999999995 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.329999999999998 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.209999999999994 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.120000000000005 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.549999999999997 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.445 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.230000000000004 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.009999999999998 112.785 -177.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.009999999999998 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.409999999999997 112.488 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.439999999999998 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.572 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.450000000000003 108.56 178.175 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.010000000000005 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.430000000000007 111.232 178.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.019999999999996 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.340000000000003 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.219999999999999 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.329999999999998 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.329999999999998 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.5 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.520000000000003 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.439999999999998 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.109999999999999 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.019999999999996 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.329999999999998 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.230000000000004 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.140000000000001 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.400000000000006 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.100000000000001 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.209999999999994 110.075 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.230000000000004 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.539999999999999 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.409999999999997 110.969 -177.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.049999999999997 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.310000000000002 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.010000000000005 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.310000000000002 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.319999999999993 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.340000000000003 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.550000000000001 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.116 0.484 . . . . 62.119999999999997 110.65 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.099999999999994 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.519999999999996 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.129999999999995 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.329999999999998 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.209999999999994 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.120000000000005 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.549999999999997 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.230000000000004 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.009999999999998 111.338 -178.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.009999999999998 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.409999999999997 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.59 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.439999999999998 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.644 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.450000000000003 111.224 -178.778 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.010000000000005 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' N ' HD21 ' A' ' 24' ' ' ASN . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.644 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.430000000000007 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.59 HH21 ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.019999999999996 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.340000000000003 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.219999999999999 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.329999999999998 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.329999999999998 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.520000000000003 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.439999999999998 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.109999999999999 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.019999999999996 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.329999999999998 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.230000000000004 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.140000000000001 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.400000000000006 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.100000000000001 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.209999999999994 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.230000000000004 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.539999999999999 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.409999999999997 110.886 -177.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.049999999999997 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.310000000000002 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.010000000000005 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.310000000000002 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.319999999999993 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.340000000000003 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.550000000000001 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.061 0.458 . . . . 62.119999999999997 110.073 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.099999999999994 111.098 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.519999999999996 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.129999999999995 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.329999999999998 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.209999999999994 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.120000000000005 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.549999999999997 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.230000000000004 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.009999999999998 111.721 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.009999999999998 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.409999999999997 113.039 -179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.439999999999998 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.450000000000003 109.213 178.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.010000000000005 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.430000000000007 110.39 178.165 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.019999999999996 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.340000000000003 110.581 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.219999999999999 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.329999999999998 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.329999999999998 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.520000000000003 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.439999999999998 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.109999999999999 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.019999999999996 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.329999999999998 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.230000000000004 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.140000000000001 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.400000000000006 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.100000000000001 109.405 -177.654 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.209999999999994 110.314 177.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.230000000000004 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.539999999999999 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.409999999999997 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.049999999999997 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.310000000000002 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.010000000000005 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.310000000000002 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.319999999999993 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.340000000000003 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.617 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.550000000000001 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.211 0.529 . . . . 62.119999999999997 110.004 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.099999999999994 109.992 178.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.519999999999996 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.129999999999995 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.329999999999998 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.209999999999994 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.120000000000005 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.549999999999997 112.046 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.230000000000004 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.009999999999998 111.709 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.009999999999998 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.409999999999997 113.043 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.439999999999998 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.450000000000003 109.902 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.010000000000005 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.430000000000007 111.058 177.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.019999999999996 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.340000000000003 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.219999999999999 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.329999999999998 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.329999999999998 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.520000000000003 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.439999999999998 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.109999999999999 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.019999999999996 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.329999999999998 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.230000000000004 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.140000000000001 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.400000000000006 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.100000000000001 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.209999999999994 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.230000000000004 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.539999999999999 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.409999999999997 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.049999999999997 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.310000000000002 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.010000000000005 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.310000000000002 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.319999999999993 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.550000000000001 112.344 -178.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.119999999999997 110.151 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.099999999999994 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.519999999999996 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.129999999999995 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.329999999999998 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.209999999999994 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.120000000000005 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.549999999999997 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.230000000000004 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.009999999999998 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.009999999999998 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 81.7 m-20 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.409999999999997 113.353 -178.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.439999999999998 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.562 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.450000000000003 109.286 178.776 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.010000000000005 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.430000000000007 111.754 178.485 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.553 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.019999999999996 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.340000000000003 110.886 179.584 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.219999999999999 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.329999999999998 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.329999999999998 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.520000000000003 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.439999999999998 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.109999999999999 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.019999999999996 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.329999999999998 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.230000000000004 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.140000000000001 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.400000000000006 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.100000000000001 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.209999999999994 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.230000000000004 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.539999999999999 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.409999999999997 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.049999999999997 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.310000000000002 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.010000000000005 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.310000000000002 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.319999999999993 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.340000000000003 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 22' ' ' ASN . 21.4 t-20 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.550000000000001 111.56 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.863 0.363 . . . . 62.119999999999997 110.665 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.099999999999994 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.519999999999996 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.129999999999995 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.329999999999998 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.209999999999994 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.120000000000005 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.549999999999997 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.230000000000004 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.009999999999998 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.009999999999998 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.409999999999997 113.244 -179.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.439999999999998 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.551 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.450000000000003 109.326 179.22 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.010000000000005 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.508 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.430000000000007 110.879 177.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.019999999999996 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.340000000000003 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.219999999999999 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.329999999999998 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.329999999999998 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.520000000000003 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.439999999999998 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.109999999999999 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.019999999999996 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.329999999999998 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.230000000000004 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.140000000000001 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.400000000000006 113.742 -179.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.100000000000001 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.209999999999994 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.230000000000004 110.915 178.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.539999999999999 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.409999999999997 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.049999999999997 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.310000000000002 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.010000000000005 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.310000000000002 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.319999999999993 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.340000000000003 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.550000000000001 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 112.385 0.513 . . . . 62.119999999999997 112.385 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.099999999999994 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.519999999999996 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.129999999999995 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.329999999999998 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.209999999999994 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.120000000000005 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.549999999999997 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.230000000000004 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.009999999999998 112.638 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.009999999999998 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.409999999999997 112.66 -179.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.439999999999998 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.450000000000003 108.636 178.191 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.010000000000005 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.430000000000007 110.876 178.38 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.019999999999996 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.340000000000003 111.755 179.443 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.219999999999999 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.329999999999998 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.329999999999998 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.8 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.520000000000003 111.19 -178.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.109999999999999 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.019999999999996 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.329999999999998 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.230000000000004 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' A' ' 41' ' ' GLN . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.140000000000001 111.554 179.241 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' N ' ' HG ' ' A' ' 40' ' ' SER . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.400000000000006 113.032 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.100000000000001 109.64 -178.001 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.209999999999994 109.837 177.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.230000000000004 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.539999999999999 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.409999999999997 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.049999999999997 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.310000000000002 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.010000000000005 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.310000000000002 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.319999999999993 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.340000000000003 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.486 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.0 t-20 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.550000000000001 112.737 -178.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.496 -0.187 . . . . 62.119999999999997 110.496 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.099999999999994 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.519999999999996 110.415 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.129999999999995 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.329999999999998 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.209999999999994 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.120000000000005 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.549999999999997 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.230000000000004 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.009999999999998 112.95 -177.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.009999999999998 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.607 HD21 ' ND2' ' A' ' 53' ' ' ASN . 82.8 m-20 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.409999999999997 112.357 -178.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.439999999999998 112.557 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.581 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.450000000000003 108.5 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.010000000000005 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.430000000000007 111.656 178.392 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.019999999999996 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.9 t-20 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.340000000000003 111.839 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.219999999999999 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.329999999999998 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.329999999999998 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.0 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.520000000000003 111.675 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.439999999999998 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.109999999999999 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.019999999999996 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.329999999999998 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.230000000000004 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.140000000000001 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.400000000000006 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.100000000000001 110.241 -177.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.209999999999994 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.539999999999999 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.409999999999997 111.485 -178.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.049999999999997 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.310000000000002 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.010000000000005 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.310000000000002 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.319999999999993 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.340000000000003 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 22' ' ' ASN . 21.1 t-20 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.550000000000001 111.933 -179.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.217 -0.66 . . . . 62.119999999999997 109.217 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.519999999999996 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.129999999999995 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.329999999999998 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.209999999999994 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.120000000000005 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.549999999999997 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.230000000000004 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.009999999999998 112.88 -176.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.009999999999998 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.409999999999997 113.152 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD11 ' H ' ' A' ' 23' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.439999999999998 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.56 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.450000000000003 109.055 179.115 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.010000000000005 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.430000000000007 110.997 177.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.019999999999996 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.340000000000003 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.219999999999999 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.329999999999998 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.329999999999998 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.520000000000003 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.439999999999998 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.109999999999999 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.019999999999996 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.329999999999998 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.230000000000004 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.140000000000001 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.400000000000006 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.100000000000001 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.209999999999994 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.230000000000004 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.539999999999999 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.409999999999997 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.049999999999997 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.310000000000002 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.010000000000005 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.310000000000002 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.319999999999993 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.340000000000003 110.596 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.550000000000001 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.7 p30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.819 -0.438 . . . . 62.329999999999998 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 42.7 t -117.14 135.09 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.357 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.17 118.73 23.79 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.272 0.558 . . . . 64.540000000000006 110.79 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -55.81 -34.66 65.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.192 -0.913 . . . . 74.530000000000001 111.06 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -91.56 142.74 27.31 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.982 0.42 . . . . 65.430000000000007 110.761 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -138.05 163.58 31.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.726 -0.67 . . . . 73.010000000000005 110.383 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -101.74 137.24 40.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.668 -0.864 . . . . 63.219999999999999 108.668 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.78 -39.2 76.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.492 -0.483 . . . . 72.400000000000006 111.678 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.22 -35.54 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.793 -0.763 . . . . 72.230000000000004 110.74 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.13 -38.27 79.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 74.400000000000006 111.269 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -57.21 -38.37 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 62.119999999999997 110.874 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.099999999999994 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.519999999999996 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.129999999999995 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.329999999999998 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.209999999999994 111.153 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.120000000000005 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.549999999999997 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.230000000000004 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.009999999999998 111.869 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.009999999999998 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.409999999999997 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.439999999999998 113.014 -175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.559 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.450000000000003 109.27 178.181 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.010000000000005 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.430000000000007 111.435 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.019999999999996 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.219999999999999 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.329999999999998 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.329999999999998 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.520000000000003 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.439999999999998 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.109999999999999 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.329999999999998 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.230000000000004 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.140000000000001 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.400000000000006 113.657 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.100000000000001 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.209999999999994 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.230000000000004 110.415 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.539999999999999 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.409999999999997 110.947 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.049999999999997 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.310000000000002 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.010000000000005 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.310000000000002 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.319999999999993 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.340000000000003 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.550000000000001 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -59.91 -38.66 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.56 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.072 1.138 . . . . 75.400000000000006 114.072 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.98 -39.68 82.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.6 -0.84 . . . . 75.439999999999998 110.845 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 39.59 63.58 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.581 -0.736 . . . . 70.239999999999995 111.866 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -24.23 59.65 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.833 1.688 . . . . 74.140000000000001 111.651 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.9 mttp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.955 -1.021 . . . . 61.530000000000001 110.572 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 62.329999999999998 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -116.74 134.56 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.297 -0.411 . . . . 72.120000000000005 110.335 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.57 -37.56 73.34 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 64.540000000000006 110.609 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 59.34 43.7 16.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.631 0.604 . . . . 74.530000000000001 112.631 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.32 151.16 19.79 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 65.430000000000007 111.486 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -131.38 162.85 29.2 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.56 -0.745 . . . . 73.010000000000005 109.102 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -103.92 133.53 48.74 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.289 0.566 . . . . 63.219999999999999 111.506 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -58.68 -35.05 71.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.44 -0.8 . . . . 72.400000000000006 109.782 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.06 -35.1 77.62 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.141 -0.623 . . . . 72.230000000000004 110.276 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.745 -0.782 . . . . 74.400000000000006 109.226 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.81 -37.28 76.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.168 -0.924 . . . . 62.119999999999997 110.005 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.099999999999994 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.519999999999996 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.129999999999995 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.329999999999998 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.209999999999994 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.120000000000005 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' HA ' HH21 ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.549999999999997 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.230000000000004 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.009999999999998 112.493 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.009999999999998 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.57 HD22 ' NZ ' ' A' ' 59' ' ' LYS . 85.7 m-20 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.409999999999997 113.231 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.439999999999998 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.544 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.450000000000003 110.094 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.010000000000005 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG3' HD22 ' A' ' 24' ' ' ASN . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.430000000000007 111.751 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 HH21 ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.019999999999996 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.340000000000003 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.219999999999999 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.329999999999998 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.329999999999998 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.520000000000003 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.439999999999998 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.109999999999999 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.019999999999996 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.329999999999998 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.230000000000004 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.140000000000001 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.400000000000006 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.100000000000001 109.841 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.209999999999994 110.168 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.230000000000004 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.539999999999999 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.409999999999997 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.049999999999997 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.310000000000002 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.010000000000005 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.310000000000002 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.319999999999993 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.340000000000003 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' CD1' ' A' ' 23' ' ' LEU . 19.9 t-20 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.550000000000001 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.66 -39.37 84.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.74 89.3 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.216 0.821 . . . . 75.400000000000006 113.216 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.3 tt0 -61.22 -38.19 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.592 -0.843 . . . . 75.439999999999998 110.652 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' CB ' ' HZ1' ' A' ' 59' ' ' LYS . . . -126.84 78.81 73.17 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.002 -0.999 . . . . 70.239999999999995 110.995 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.73 -17.57 18.38 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 120.858 1.039 . . . . 74.140000000000001 110.929 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' NZ ' HD22 ' A' ' 22' ' ' ASN . 20.4 pttm . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.034 -0.984 . . . . 61.530000000000001 110.999 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.483 -0.562 . . . . 62.329999999999998 109.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.13 135.72 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.119 0.485 . . . . 72.120000000000005 109.972 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -56.76 -37.0 70.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.236 -0.438 . . . . 64.540000000000006 111.401 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -84.4 5.89 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.424 . . . . 74.530000000000001 110.884 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -57.49 -36.78 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 65.430000000000007 110.509 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -134.66 162.34 32.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.891 0.377 . . . . 73.010000000000005 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.25 124.2 47.41 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.084 -0.507 . . . . 63.219999999999999 109.653 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -57.53 -35.16 69.94 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.179 -0.608 . . . . 72.400000000000006 109.89 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.25 -36.16 74.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.051 -0.66 . . . . 72.230000000000004 109.873 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.43 -37.92 76.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.186 0.517 . . . . 74.400000000000006 110.307 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.15 -37.88 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 62.119999999999997 110.694 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.099999999999994 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.519999999999996 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.129999999999995 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.329999999999998 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.209999999999994 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.120000000000005 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.549999999999997 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.230000000000004 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.009999999999998 111.919 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.009999999999998 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.409999999999997 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.439999999999998 112.414 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.450000000000003 109.467 178.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.010000000000005 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.65 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.430000000000007 110.529 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.019999999999996 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.340000000000003 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.219999999999999 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.329999999999998 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.329999999999998 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.520000000000003 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.439999999999998 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.109999999999999 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.019999999999996 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.329999999999998 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.230000000000004 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 41' ' ' GLN . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.140000000000001 111.472 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' HG ' ' A' ' 40' ' ' SER . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.400000000000006 113.499 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.100000000000001 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.209999999999994 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.230000000000004 110.951 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.539999999999999 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.409999999999997 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.049999999999997 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.310000000000002 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.010000000000005 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.310000000000002 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.319999999999993 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.340000000000003 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.550000000000001 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.0 t0 -59.21 -39.26 82.1 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.182 0.808 . . . . 75.400000000000006 113.182 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -59.11 -38.68 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.445 0.535 . . . . 75.439999999999998 112.445 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -129.61 160.8 62.77 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 120.8 0.333 . . . . 70.239999999999995 111.314 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.62 -23.96 68.02 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.682 2.255 . . . . 74.140000000000001 111.107 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.993 -1.004 . . . . 61.530000000000001 110.649 -179.592 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.318 -0.623 . . . . 62.329999999999998 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 m -128.71 159.4 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.655 -0.702 . . . . 72.120000000000005 109.203 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -81.44 114.67 20.34 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 122.125 0.964 . . . . 64.540000000000006 110.39 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 22.7 p30 -91.06 9.07 32.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.574 -1.648 . . . . 74.530000000000001 113.186 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.46 132.91 35.2 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.416 -0.914 . . . . 65.430000000000007 111.659 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.5 157.44 33.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 114.325 -1.307 . . . . 73.010000000000005 110.549 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -100.59 134.57 43.36 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.239 -1.393 . . . . 63.219999999999999 107.239 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.12 -37.23 74.19 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.191 -0.604 . . . . 72.400000000000006 112.118 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.66 -35.6 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.693 -0.803 . . . . 72.230000000000004 110.543 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.47 -39.32 83.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.712 0.634 . . . . 74.400000000000006 112.712 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.22 -37.33 79.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.181 -0.608 . . . . 62.119999999999997 111.959 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.099999999999994 110.511 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.519999999999996 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.129999999999995 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.329999999999998 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.209999999999994 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.120000000000005 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.549999999999997 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.230000000000004 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.009999999999998 113.005 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.009999999999998 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.409999999999997 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.439999999999998 112.121 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.450000000000003 108.981 179.106 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.010000000000005 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.430000000000007 111.224 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.019999999999996 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.340000000000003 110.893 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.219999999999999 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.329999999999998 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 32' ' ' ILE . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.329999999999998 112.67 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.520000000000003 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.439999999999998 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.109999999999999 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.019999999999996 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.329999999999998 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.230000000000004 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.140000000000001 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.400000000000006 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.100000000000001 109.479 -178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.209999999999994 109.541 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.230000000000004 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.539999999999999 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.409999999999997 111.807 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.049999999999997 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.310000000000002 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.010000000000005 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.310000000000002 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.319999999999993 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.340000000000003 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.550000000000001 111.412 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.11 -39.61 90.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.85 93.77 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.983 1.105 . . . . 75.400000000000006 113.983 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -59.68 -39.35 84.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.593 -0.843 . . . . 75.439999999999998 110.236 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 34.13 59.74 2.03 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.331 -0.85 . . . . 70.239999999999995 112.007 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.15 -24.37 76.73 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.97 1.78 . . . . 74.140000000000001 111.69 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.035 -0.983 . . . . 61.530000000000001 110.621 -178.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.242 -0.651 . . . . 62.329999999999998 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t 35.18 79.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.272 -0.422 . . . . 72.120000000000005 111.157 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.35 141.81 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 64.540000000000006 112.012 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -56.42 -32.61 65.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.437 -1.256 . . . . 74.530000000000001 111.412 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.93 -33.28 66.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.753 -0.658 . . . . 65.430000000000007 112.679 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.62 132.67 49.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.647 0.737 . . . . 73.010000000000005 111.729 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -106.46 139.18 41.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.423 -1.262 . . . . 63.219999999999999 109.593 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.31 -35.12 67.18 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.878 -0.729 . . . . 72.400000000000006 110.962 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.27 -33.59 74.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.013 -0.675 . . . . 72.230000000000004 110.012 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -56.63 -37.14 70.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.92 -0.582 . . . . 74.400000000000006 109.997 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.37 -37.52 67.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.636 -0.711 . . . . 62.119999999999997 110.234 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.099999999999994 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.519999999999996 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.129999999999995 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.329999999999998 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.209999999999994 111.705 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.120000000000005 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.549999999999997 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.230000000000004 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.009999999999998 113.325 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.009999999999998 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.409999999999997 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.439999999999998 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.450000000000003 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.010000000000005 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.430000000000007 110.247 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.019999999999996 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.507 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.0 t-20 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.340000000000003 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.219999999999999 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.329999999999998 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.329999999999998 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.9 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.520000000000003 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.439999999999998 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.109999999999999 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.019999999999996 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.329999999999998 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.230000000000004 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.140000000000001 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.400000000000006 113.677 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.100000000000001 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.209999999999994 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.230000000000004 110.905 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.539999999999999 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.409999999999997 111.005 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.049999999999997 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.310000000000002 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.010000000000005 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.310000000000002 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.319999999999993 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.340000000000003 111.277 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.550000000000001 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.61 83.94 Favored 'General case' 0 C--N 1.335 -0.062 0 C-N-CA 119.194 -1.002 . . . . 75.400000000000006 111.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.35 -36.12 81.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.007 -0.542 . . . . 75.439999999999998 111.157 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.43 147.52 96.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 70.239999999999995 110.724 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.2 -22.34 56.36 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.537 1.491 . . . . 74.140000000000001 110.398 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.024 -0.989 . . . . 61.530000000000001 110.086 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 t0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.5 -0.556 . . . . 62.329999999999998 109.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -117.11 135.02 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.259 -0.428 . . . . 72.120000000000005 110.442 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.02 119.4 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.307 0.575 . . . . 64.540000000000006 111.39 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -55.44 -33.81 63.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.146 -0.934 . . . . 74.530000000000001 110.306 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.64 149.01 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.811 -0.632 . . . . 65.430000000000007 110.697 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.04 156.41 28.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.509 -0.768 . . . . 73.010000000000005 110.678 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -95.2 145.08 25.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.892 -0.594 . . . . 63.219999999999999 110.004 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.47 -40.98 79.7 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.292 -0.563 . . . . 72.400000000000006 112.129 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.62 -37.91 89.21 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 118.178 -1.409 . . . . 72.230000000000004 109.255 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -62.74 -36.36 82.76 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.101 -0.954 . . . . 74.400000000000006 112.354 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.03 -39.0 77.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 62.119999999999997 110.946 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.099999999999994 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.519999999999996 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.129999999999995 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.329999999999998 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.209999999999994 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.120000000000005 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.549999999999997 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.230000000000004 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.009999999999998 112.718 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.009999999999998 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 57' ' ' ALA . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.409999999999997 113.293 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.439999999999998 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.543 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.450000000000003 110.016 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.010000000000005 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HG3' HD22 ' A' ' 24' ' ' ASN . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.430000000000007 111.043 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.019999999999996 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.0 t-20 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.340000000000003 113.029 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.219999999999999 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.329999999999998 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.329999999999998 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.520000000000003 112.369 -178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.109999999999999 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.019999999999996 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.329999999999998 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.230000000000004 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.140000000000001 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.400000000000006 113.513 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.100000000000001 109.543 -178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.209999999999994 109.988 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.230000000000004 110.933 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.539999999999999 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.409999999999997 111.154 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.049999999999997 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.310000000000002 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.010000000000005 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.310000000000002 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.319999999999993 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.340000000000003 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.434 HD21 ' CD1' ' A' ' 23' ' ' LEU . 19.6 t-20 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.550000000000001 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.27 -39.66 83.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.79 94.27 Favored 'General case' 0 N--CA 1.46 0.069 0 C-N-CA 120.055 -0.658 . . . . 75.400000000000006 112.263 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.237 0.542 . . . . 75.439999999999998 110.756 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -127.46 79.67 72.98 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.28 -0.873 . . . . 70.239999999999995 110.939 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.52 -17.1 20.76 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 120.798 0.998 . . . . 74.140000000000001 111.022 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.999 -1.0 . . . . 61.530000000000001 111.216 -178.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.812 -0.44 . . . . 62.329999999999998 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.87 157.31 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.262 -0.426 . . . . 72.120000000000005 110.254 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 56.07 46.18 22.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 64.540000000000006 110.525 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.545 HD21 ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -85.66 5.25 32.83 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.834 -0.346 . . . . 74.530000000000001 111.14 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' N ' HD21 ' A' ' 4' ' ' ASN . 18.2 mtpp -58.87 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.003 -0.74 . . . . 65.430000000000007 109.003 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -118.56 156.36 29.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.596 -1.183 . . . . 73.010000000000005 109.524 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -96.36 140.65 30.72 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.837 -0.431 . . . . 63.219999999999999 109.837 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.64 -36.17 71.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 72.400000000000006 111.024 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.85 -35.21 79.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.833 -0.747 . . . . 72.230000000000004 110.19 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -58.86 -37.82 77.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.086 -0.507 . . . . 74.400000000000006 110.867 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.67 -38.3 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 62.119999999999997 110.624 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.099999999999994 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.519999999999996 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.129999999999995 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.329999999999998 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.209999999999994 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.120000000000005 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.549999999999997 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.230000000000004 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.009999999999998 111.501 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.009999999999998 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.409999999999997 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.439999999999998 112.232 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.450000000000003 108.686 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.010000000000005 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.430000000000007 110.94 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.019999999999996 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.340000000000003 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.219999999999999 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 34' ' ' SER . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.329999999999998 111.505 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.329999999999998 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.520000000000003 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 31' ' ' PHE . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.439999999999998 111.038 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 34' ' ' SER . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.109999999999999 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.329999999999998 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.230000000000004 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.140000000000001 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.400000000000006 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.100000000000001 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.209999999999994 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.230000000000004 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.539999999999999 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.409999999999997 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.049999999999997 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.310000000000002 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.010000000000005 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.310000000000002 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.319999999999993 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.340000000000003 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.550000000000001 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.52 -39.6 84.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.21 84.34 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.726 1.01 . . . . 75.400000000000006 113.726 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.3 -36.85 81.23 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.857 -0.737 . . . . 75.439999999999998 111.673 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -123.91 81.23 56.36 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 115.621 -0.718 . . . . 70.239999999999995 111.842 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LYS . 50.2 Cg_exo -54.42 -18.28 14.41 Favored 'Trans proline' 0 C--N 1.299 -2.028 0 C-N-CA 122.209 1.939 . . . . 74.140000000000001 110.424 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PRO . 92.3 mttt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 61.530000000000001 111.603 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.4 p30 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.769 -0.456 . . . . 62.329999999999998 109.769 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.36 -27.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 72.120000000000005 110.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -55.87 -36.86 68.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.038 -0.727 . . . . 64.540000000000006 109.038 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 59.86 43.67 14.72 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.203 1.186 . . . . 74.530000000000001 114.203 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -95.55 141.34 29.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.313 -0.625 . . . . 65.430000000000007 109.313 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.04 153.19 36.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.124 0.488 . . . . 73.010000000000005 111.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.98 131.22 50.1 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.645 -0.872 . . . . 63.219999999999999 108.645 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.38 -36.87 69.36 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.521 . . . . 72.400000000000006 111.224 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -66.05 -31.19 71.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.2 -1.0 . . . . 72.230000000000004 110.386 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.69 -36.51 74.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.312 0.577 . . . . 74.400000000000006 110.272 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -55.02 -37.7 66.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 62.119999999999997 111.106 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.099999999999994 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.519999999999996 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.129999999999995 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.329999999999998 111.951 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.209999999999994 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.120000000000005 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.549999999999997 111.748 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.230000000000004 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.009999999999998 111.764 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.009999999999998 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' ND2' ' CB ' ' A' ' 57' ' ' ALA . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.409999999999997 113.254 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.439999999999998 112.378 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.574 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.450000000000003 109.487 178.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.010000000000005 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.430000000000007 111.336 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.019999999999996 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.340000000000003 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.219999999999999 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.329999999999998 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.329999999999998 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.520000000000003 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.439999999999998 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.109999999999999 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.019999999999996 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.329999999999998 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.230000000000004 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.140000000000001 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.400000000000006 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.100000000000001 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.209999999999994 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.230000000000004 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.539999999999999 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.409999999999997 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.049999999999997 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.310000000000002 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.010000000000005 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.310000000000002 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.319999999999993 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.340000000000003 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.550000000000001 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.86 92.67 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.814 0.672 . . . . 75.400000000000006 112.814 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.76 -38.33 84.83 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.75 0.786 . . . . 75.439999999999998 109.806 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -127.58 85.77 60.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.23 -1.35 . . . . 70.239999999999995 111.642 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.12 -19.51 9.04 Favored 'Trans proline' 0 C--N 1.299 -2.04 0 N-CA-C 107.977 -1.586 . . . . 74.140000000000001 107.977 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 57' ' ' ALA . 76.3 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-N 114.075 -1.421 . . . . 61.530000000000001 110.624 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.338 -0.616 . . . . 62.329999999999998 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.18 135.44 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.131 -0.486 . . . . 72.120000000000005 110.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.0 142.87 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.235 0.54 . . . . 64.540000000000006 110.142 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' A' ' 6' ' ' PHE . 85.9 m-20 -56.27 -35.64 67.68 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.224 -1.028 . . . . 74.530000000000001 108.224 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 6' ' ' PHE . 16.0 ttpp 57.16 -7.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.532 -1.213 . . . . 65.430000000000007 112.481 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' H ' ' C ' ' A' ' 4' ' ' ASN . 97.2 m-85 -119.52 152.73 36.49 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.149 -0.686 . . . . 73.010000000000005 109.149 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -106.0 134.25 49.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.132 0.492 . . . . 63.219999999999999 110.409 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -58.24 -35.59 71.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.209 -0.663 . . . . 72.400000000000006 109.209 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -34.21 76.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.646 . . . . 72.230000000000004 110.616 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.62 HE21 ' CB ' ' A' ' 42' ' ' SER . 49.5 tt0 -57.62 -39.06 76.06 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.368 -0.533 . . . . 74.400000000000006 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.71 -38.51 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.073 -0.651 . . . . 62.119999999999997 109.806 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.099999999999994 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.519999999999996 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.129999999999995 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.329999999999998 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.209999999999994 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.120000000000005 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.549999999999997 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.230000000000004 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.009999999999998 112.444 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.009999999999998 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.409999999999997 111.946 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.439999999999998 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.450000000000003 108.916 178.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.010000000000005 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.430000000000007 111.555 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.019999999999996 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.7 t-20 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.340000000000003 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.219999999999999 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' A' ' 34' ' ' SER . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.329999999999998 112.722 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.329999999999998 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.4 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.520000000000003 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 31' ' ' PHE . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.439999999999998 111.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.109999999999999 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.019999999999996 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.329999999999998 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.230000000000004 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.140000000000001 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.400000000000006 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.62 ' CB ' HE21 ' A' ' 10' ' ' GLN . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.100000000000001 112.182 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.209999999999994 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.230000000000004 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.539999999999999 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.409999999999997 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.049999999999997 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.310000000000002 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.010000000000005 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.310000000000002 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.319999999999993 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.340000000000003 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.616 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.9 t-20 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.550000000000001 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.23 -40.26 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.13 91.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 115.136 1.532 . . . . 75.400000000000006 115.136 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 50.8 tt0 -59.57 -39.42 84.03 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.527 -0.869 . . . . 75.439999999999998 111.321 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.25 65.81 4.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 70.239999999999995 111.626 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.23 -23.93 48.03 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.01 1.806 . . . . 74.140000000000001 112.047 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.054 -0.974 . . . . 61.530000000000001 110.618 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.4 p30 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.802 -0.444 . . . . 62.329999999999998 109.802 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 76.1 t -60.68 -39.6 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 72.120000000000005 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.58 142.18 56.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 64.540000000000006 110.959 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -87.31 7.84 26.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 74.530000000000001 110.79 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' N ' HD21 ' A' ' 4' ' ' ASN . 47.3 mtmt -87.22 149.27 24.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.252 0.548 . . . . 65.430000000000007 111.267 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -132.98 164.66 26.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.299 -0.864 . . . . 73.010000000000005 109.831 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -98.15 139.27 34.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.148 0.499 . . . . 63.219999999999999 110.401 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -57.51 -37.25 72.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 72.400000000000006 111.148 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.63 -35.43 77.89 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.472 -0.891 . . . . 72.230000000000004 110.44 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.11 -38.94 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 74.400000000000006 109.723 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.09 -37.23 74.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.22 -0.9 . . . . 62.119999999999997 110.553 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.589 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.519999999999996 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.129999999999995 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.329999999999998 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.209999999999994 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.120000000000005 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.549999999999997 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.230000000000004 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.009999999999998 111.633 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.009999999999998 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.409999999999997 113.14 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.439999999999998 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.559 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.450000000000003 109.477 178.397 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.010000000000005 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.430000000000007 110.761 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.019999999999996 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.340000000000003 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.219999999999999 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.329999999999998 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.329999999999998 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.520000000000003 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.439999999999998 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.109999999999999 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.019999999999996 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.329999999999998 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.230000000000004 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.140000000000001 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.400000000000006 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.100000000000001 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.209999999999994 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.230000000000004 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.539999999999999 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.409999999999997 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.049999999999997 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.310000000000002 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.010000000000005 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.310000000000002 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.319999999999993 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.340000000000003 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.550000000000001 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.33 -39.5 83.34 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.06 94.89 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.227 -0.589 . . . . 75.400000000000006 112.301 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -60.24 -36.91 78.82 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.762 0.791 . . . . 75.439999999999998 109.302 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.24 174.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 114.344 -1.298 . . . . 70.239999999999995 109.897 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.73 144.47 76.04 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.017 1.811 . . . . 74.140000000000001 111.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 22' ' ' ASN . 69.0 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.959 -1.019 . . . . 61.530000000000001 110.505 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.502 -0.555 . . . . 62.329999999999998 109.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.66 143.25 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.786 -0.643 . . . . 72.120000000000005 110.377 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 55.3 t0 -55.29 -36.43 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 64.540000000000006 111.648 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 3' ' ' ASP . 9.2 p30 56.71 42.27 27.08 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.496 0.497 . . . . 74.530000000000001 111.062 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -74.19 135.06 42.77 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.1 -0.704 . . . . 65.430000000000007 109.1 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 97.9 m-85 -111.85 142.85 43.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.351 0.596 . . . . 73.010000000000005 111.563 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -100.19 129.09 46.17 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.316 -0.994 . . . . 63.219999999999999 108.316 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.04 -35.79 69.72 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.129 -0.629 . . . . 72.400000000000006 110.91 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.434 -0.906 . . . . 72.230000000000004 110.375 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.78 -37.49 79.23 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.993 -0.549 . . . . 74.400000000000006 111.167 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.16 -37.75 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 62.119999999999997 111.725 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.099999999999994 110.174 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.519999999999996 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.129999999999995 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.329999999999998 113.009 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.209999999999994 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.120000000000005 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.549999999999997 111.69 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.230000000000004 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.009999999999998 112.587 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.009999999999998 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.409999999999997 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.439999999999998 112.648 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.450000000000003 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.010000000000005 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.430000000000007 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.019999999999996 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.340000000000003 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.219999999999999 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.329999999999998 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.329999999999998 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.520000000000003 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.439999999999998 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.109999999999999 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.019999999999996 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.329999999999998 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.230000000000004 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.140000000000001 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.400000000000006 113.751 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.100000000000001 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.209999999999994 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.230000000000004 110.261 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.539999999999999 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.409999999999997 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.049999999999997 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.310000000000002 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.010000000000005 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.310000000000002 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.319999999999993 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.340000000000003 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.550000000000001 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -57.73 -39.98 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.19 88.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.671 -0.812 . . . . 75.400000000000006 111.616 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.63 -35.71 78.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.918 -0.583 . . . . 75.439999999999998 111.459 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.39 147.46 98.84 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.61 -0.723 . . . . 70.239999999999995 111.06 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.03 -22.64 56.44 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.695 1.596 . . . . 74.140000000000001 110.678 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.087 -0.958 . . . . 61.530000000000001 111.046 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.214 -0.661 . . . . 62.329999999999998 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.68 -40.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.120000000000005 110.466 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.12 138.88 54.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.507 -0.477 . . . . 64.540000000000006 110.642 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -87.57 5.78 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 74.530000000000001 111.366 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -89.89 139.97 30.07 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.464 0.649 . . . . 65.430000000000007 112.283 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -140.19 163.48 32.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.819 -1.082 . . . . 73.010000000000005 108.993 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -103.27 127.49 50.58 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.055 -0.72 . . . . 63.219999999999999 109.055 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.12 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.619 -0.433 . . . . 72.400000000000006 111.577 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.76 -36.88 80.03 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.123 -0.631 . . . . 72.230000000000004 110.55 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.29 -38.89 81.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 74.400000000000006 111.354 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.03 -39.79 79.22 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.305 -0.558 . . . . 62.119999999999997 111.667 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.099999999999994 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.519999999999996 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.129999999999995 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.329999999999998 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.209999999999994 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.120000000000005 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.549999999999997 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.230000000000004 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.009999999999998 111.98 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.009999999999998 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.409999999999997 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.439999999999998 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.555 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.450000000000003 108.519 177.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.010000000000005 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.528 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.430000000000007 111.407 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.019999999999996 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.340000000000003 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.219999999999999 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.329999999999998 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.329999999999998 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.520000000000003 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.439999999999998 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.109999999999999 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.019999999999996 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.329999999999998 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.230000000000004 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.140000000000001 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.400000000000006 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.100000000000001 110.041 -177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.493 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.209999999999994 110.118 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.539999999999999 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.409999999999997 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.049999999999997 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.310000000000002 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.010000000000005 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.310000000000002 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.319999999999993 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.340000000000003 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.550000000000001 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.36 -39.71 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.11 89.46 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 119.629 -0.828 . . . . 75.400000000000006 112.234 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 57' ' ' ALA . 99.9 mm-40 -62.04 -35.63 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 75.439999999999998 110.799 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 56' ' ' GLN . . . 55.32 135.14 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.197 -0.911 . . . . 70.239999999999995 111.885 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.82 145.49 83.34 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.371 1.38 . . . . 74.140000000000001 111.483 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.02 -0.99 . . . . 61.530000000000001 110.531 -179.106 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.446 -0.575 . . . . 62.329999999999998 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -116.75 134.21 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.019 0.438 . . . . 72.120000000000005 110.472 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.0 143.71 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.818 -0.628 . . . . 64.540000000000006 111.652 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -85.7 7.75 22.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.529 -0.759 . . . . 74.530000000000001 110.877 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' NZ ' ' CE2' ' A' ' 6' ' ' PHE . 25.8 pttm -76.62 0.31 20.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 65.430000000000007 112.003 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.475 ' CE2' ' NZ ' ' A' ' 5' ' ' LYS . 99.4 m-85 -102.85 136.81 41.98 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.17 0.509 . . . . 73.010000000000005 110.336 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.63 142.92 31.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.575 -0.739 . . . . 63.219999999999999 110.873 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -57.88 -35.75 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 72.400000000000006 112.027 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.1 -35.96 80.28 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.309 -0.956 . . . . 72.230000000000004 110.582 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.01 -37.73 80.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 74.400000000000006 110.303 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.34 -37.98 70.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 62.119999999999997 111.616 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.099999999999994 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.519999999999996 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.129999999999995 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.329999999999998 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.209999999999994 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.120000000000005 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.549999999999997 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.230000000000004 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.009999999999998 112.155 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.009999999999998 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.409999999999997 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.439999999999998 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.548 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.450000000000003 109.818 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.010000000000005 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.430000000000007 111.115 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.019999999999996 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.340000000000003 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.219999999999999 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.329999999999998 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.329999999999998 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.520000000000003 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.439999999999998 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.109999999999999 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.019999999999996 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.329999999999998 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.230000000000004 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.140000000000001 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.400000000000006 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.100000000000001 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.209999999999994 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.230000000000004 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.539999999999999 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.409999999999997 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.049999999999997 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.310000000000002 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.010000000000005 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.310000000000002 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.319999999999993 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.340000000000003 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.550000000000001 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.08 -39.99 79.96 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.9 90.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.029 -0.668 . . . . 75.400000000000006 111.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.33 -36.16 79.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.6 -0.727 . . . . 75.439999999999998 111.736 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.81 134.26 86.01 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.168 -0.469 . . . . 70.239999999999995 111.483 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.9 -23.57 51.92 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 CA-C-N 120.239 1.121 . . . . 74.140000000000001 109.962 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.994 -1.003 . . . . 61.530000000000001 110.72 -179.513 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.766 -0.457 . . . . 62.329999999999998 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.71 143.8 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 110.214 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.09 -36.14 67.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.41 . . . . 64.540000000000006 111.893 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.48 -32.55 50.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.021 -0.733 . . . . 74.530000000000001 109.021 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -64.35 141.02 58.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.895 -1.048 . . . . 65.430000000000007 109.755 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 134.22 45.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.303 0.573 . . . . 73.010000000000005 110.476 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -102.18 151.23 22.45 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.151 -0.931 . . . . 63.219999999999999 111.195 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -57.33 -35.65 70.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.08 -0.964 . . . . 72.400000000000006 110.435 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.3 -31.92 73.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 119.923 -0.711 . . . . 72.230000000000004 110.7 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.29 -38.32 79.9 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.513 0.673 . . . . 74.400000000000006 110.507 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.91 -37.84 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.508 -0.769 . . . . 62.119999999999997 109.635 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.099999999999994 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.519999999999996 110.248 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.129999999999995 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.329999999999998 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.209999999999994 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.120000000000005 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.549999999999997 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.230000000000004 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.009999999999998 112.066 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.009999999999998 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.409999999999997 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.628 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.439999999999998 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.474 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.450000000000003 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.010000000000005 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.430000000000007 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.019999999999996 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.340000000000003 111.647 179.456 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.219999999999999 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.329999999999998 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.329999999999998 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.520000000000003 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.439999999999998 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.109999999999999 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.019999999999996 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.329999999999998 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.230000000000004 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.140000000000001 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.400000000000006 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.100000000000001 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.209999999999994 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.230000000000004 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.539999999999999 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.409999999999997 110.192 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.049999999999997 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.310000000000002 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.010000000000005 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.310000000000002 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.319999999999993 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.340000000000003 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.550000000000001 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.41 -40.69 91.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.94 74.06 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.943 1.46 . . . . 75.400000000000006 114.943 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -61.27 -41.39 96.85 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.745 -0.782 . . . . 75.439999999999998 112.101 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.48 76.43 61.66 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.616 -0.72 . . . . 70.239999999999995 110.548 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.14 140.11 86.58 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 CA-C-N 121.126 1.438 . . . . 74.140000000000001 110.709 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.978 -1.01 . . . . 61.530000000000001 110.594 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.827 -0.434 . . . . 62.329999999999998 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -131.5 142.97 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.183 -0.462 . . . . 72.120000000000005 110.451 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 64.540000000000006 110.718 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 4' ' ' ASN . 2.6 m120 -85.34 5.19 31.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 74.530000000000001 110.517 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -73.21 135.62 44.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 65.430000000000007 110.365 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -108.88 138.97 44.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.089 0.471 . . . . 73.010000000000005 110.951 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.43 127.92 46.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.674 -0.693 . . . . 63.219999999999999 109.575 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -57.24 -35.11 69.31 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.549 -0.46 . . . . 72.400000000000006 110.397 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.34 -34.85 77.45 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.13 -0.628 . . . . 72.230000000000004 110.235 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.31 -37.18 74.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.322 0.582 . . . . 74.400000000000006 110.707 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.08 -37.08 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.409 -0.814 . . . . 62.119999999999997 111.278 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.099999999999994 110.512 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.519999999999996 110.599 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.129999999999995 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.329999999999998 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.209999999999994 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.120000000000005 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.549999999999997 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.230000000000004 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.009999999999998 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.009999999999998 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.409999999999997 112.282 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.439999999999998 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.450000000000003 109.681 178.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.010000000000005 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.430000000000007 110.725 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.019999999999996 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.340000000000003 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.219999999999999 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.329999999999998 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.329999999999998 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.520000000000003 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.439999999999998 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' CB ' ' HZ1' ' A' ' 36' ' ' LYS . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.109999999999999 111.79 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.019999999999996 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.329999999999998 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.230000000000004 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.140000000000001 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.400000000000006 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.100000000000001 110.414 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.209999999999994 109.65 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.230000000000004 110.972 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.539999999999999 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.409999999999997 111.662 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.049999999999997 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.310000000000002 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.010000000000005 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.310000000000002 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.319999999999993 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.340000000000003 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.550000000000001 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -59.59 -39.6 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.96 90.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 114.484 1.29 . . . . 75.400000000000006 114.484 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -61.12 -41.24 96.34 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.18 -1.008 . . . . 75.439999999999998 112.013 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.12 79.9 55.05 Favored Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 116.158 -0.473 . . . . 70.239999999999995 109.977 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.11 138.73 62.9 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 CA-C-N 119.358 0.807 . . . . 74.140000000000001 111.508 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 61.530000000000001 110.484 -179.733 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.263 -0.643 . . . . 62.329999999999998 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -131.44 142.82 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 116.385 -0.37 . . . . 72.120000000000005 110.084 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 51.1 p30 -73.14 138.51 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.46 0.648 . . . . 64.540000000000006 111.182 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -56.64 -35.1 67.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 74.530000000000001 111.127 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -94.7 142.08 27.87 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.982 0.42 . . . . 65.430000000000007 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -120.32 153.77 35.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.901 -0.59 . . . . 73.010000000000005 110.123 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.56 134.32 47.94 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.365 -0.606 . . . . 63.219999999999999 109.365 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.32 -36.42 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.565 -0.454 . . . . 72.400000000000006 111.256 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -63.07 -35.21 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.136 -0.626 . . . . 72.230000000000004 110.756 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -58.38 -38.13 76.66 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 74.400000000000006 110.579 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -57.79 -38.65 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 62.119999999999997 110.877 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.099999999999994 110.744 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.519999999999996 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.129999999999995 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.329999999999998 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.209999999999994 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.120000000000005 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.549999999999997 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.230000000000004 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.009999999999998 111.465 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.009999999999998 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.409999999999997 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.439999999999998 111.63 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.562 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.450000000000003 109.164 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.010000000000005 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.430000000000007 111.122 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.019999999999996 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.340000000000003 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.219999999999999 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.329999999999998 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.329999999999998 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.520000000000003 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.439999999999998 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.109999999999999 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.019999999999996 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.329999999999998 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.230000000000004 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.140000000000001 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.400000000000006 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.100000000000001 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.209999999999994 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.230000000000004 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.539999999999999 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.409999999999997 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.049999999999997 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.310000000000002 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.010000000000005 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.310000000000002 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.319999999999993 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.340000000000003 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.550000000000001 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.11 -39.24 85.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.5 92.02 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 113.866 1.061 . . . . 75.400000000000006 113.866 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.09 -37.4 82.61 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.353 -0.939 . . . . 75.439999999999998 111.36 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.95 147.21 99.14 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.699 -0.682 . . . . 70.239999999999995 111.683 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.4 -23.04 68.63 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.053 1.835 . . . . 74.140000000000001 111.022 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.048 -0.977 . . . . 61.530000000000001 110.791 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 51.1 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.867 -0.42 . . . . 62.329999999999998 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.3 m -70.04 -29.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 72.120000000000005 110.422 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.15 141.95 55.88 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.952 0.882 . . . . 64.540000000000006 110.537 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -87.05 6.6 31.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.874 -1.512 . . . . 74.530000000000001 111.358 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -75.61 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.569 -0.53 . . . . 65.430000000000007 109.569 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.81 163.51 29.65 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.993 0.425 . . . . 73.010000000000005 111.04 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.59 138.02 40.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.899 -0.591 . . . . 63.219999999999999 110.208 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -57.71 -37.86 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.014 -0.539 . . . . 72.400000000000006 110.461 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -62.54 -34.47 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.401 -0.52 . . . . 72.230000000000004 110.355 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.03 -38.93 77.16 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.732 -0.387 . . . . 74.400000000000006 110.984 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.69 -38.83 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.278 -0.569 . . . . 62.119999999999997 110.324 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.099999999999994 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.519999999999996 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.129999999999995 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.329999999999998 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.209999999999994 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.120000000000005 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.549999999999997 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.230000000000004 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.009999999999998 113.076 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.009999999999998 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 85.1 m-20 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.409999999999997 113.049 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.439999999999998 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.541 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.450000000000003 110.521 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.010000000000005 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.430000000000007 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.019999999999996 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.340000000000003 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.219999999999999 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.329999999999998 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.329999999999998 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.520000000000003 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.439999999999998 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.109999999999999 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.019999999999996 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.329999999999998 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.230000000000004 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.140000000000001 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.400000000000006 113.352 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.100000000000001 109.548 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.209999999999994 109.66 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.230000000000004 110.757 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.539999999999999 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.409999999999997 111.401 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.049999999999997 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.310000000000002 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.010000000000005 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.310000000000002 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.319999999999993 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.340000000000003 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.550000000000001 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.31 -39.75 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.15 79.74 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 113.733 1.012 . . . . 75.400000000000006 113.733 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.0 tt0 -61.33 -37.76 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.024 -0.67 . . . . 75.439999999999998 111.43 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -126.09 81.11 67.11 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.525 -0.762 . . . . 70.239999999999995 112.22 -177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.49 -17.76 13.39 Favored 'Trans proline' 0 C--N 1.297 -2.18 0 C-N-CA 121.818 1.679 . . . . 74.140000000000001 110.017 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.989 . . . . 61.530000000000001 111.553 -179.669 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.365 -0.605 . . . . 62.329999999999998 109.365 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.73 -39.72 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.819 -0.628 . . . . 72.120000000000005 110.585 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -67.98 140.75 56.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.982 0.42 . . . . 64.540000000000006 110.616 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -86.59 5.31 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.875 -0.602 . . . . 74.530000000000001 111.327 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -90.48 139.36 30.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.245 0.545 . . . . 65.430000000000007 111.557 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -140.43 164.34 30.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.332 -0.849 . . . . 73.010000000000005 109.818 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -99.65 134.1 43.02 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.491 -0.559 . . . . 63.219999999999999 109.491 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -58.7 -37.62 76.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 111.144 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.16 -36.84 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.014 -0.674 . . . . 72.230000000000004 110.451 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -59.34 -38.41 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 74.400000000000006 111.639 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -57.59 -39.38 76.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 62.119999999999997 112.582 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.099999999999994 109.874 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.519999999999996 111.667 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.129999999999995 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.329999999999998 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.209999999999994 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.120000000000005 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.549999999999997 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.230000000000004 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.009999999999998 111.565 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.009999999999998 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.409999999999997 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.439999999999998 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.450000000000003 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.010000000000005 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.430000000000007 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.019999999999996 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.340000000000003 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.219999999999999 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.329999999999998 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.329999999999998 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.520000000000003 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.439999999999998 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.109999999999999 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.019999999999996 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.329999999999998 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.230000000000004 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.140000000000001 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.400000000000006 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.100000000000001 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.209999999999994 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.230000000000004 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.539999999999999 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.409999999999997 112.019 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.049999999999997 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.310000000000002 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.010000000000005 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.310000000000002 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.319999999999993 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.340000000000003 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.550000000000001 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.13 -40.1 88.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.43 82.67 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.321 1.6 . . . . 75.400000000000006 115.321 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -62.29 -39.56 93.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.126 -1.03 . . . . 75.439999999999998 112.285 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.48 77.9 39.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.81 -0.632 . . . . 70.239999999999995 110.389 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.33 138.89 73.54 Favored 'Trans proline' 0 C--N 1.295 -2.288 0 CA-C-N 119.894 0.998 . . . . 74.140000000000001 110.947 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.911 -1.042 . . . . 61.530000000000001 110.482 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.328 -0.619 . . . . 62.329999999999998 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.05 -34.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.120000000000005 110.507 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.32 142.41 56.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.113 0.959 . . . . 64.540000000000006 111.056 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.525 ' O ' ' CE2' ' A' ' 6' ' ' PHE . 43.8 p-10 -86.99 7.73 26.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.488 -1.687 . . . . 74.530000000000001 111.016 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.34 136.47 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.692 -0.686 . . . . 65.430000000000007 110.336 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 95.9 m-85 -118.01 154.7 31.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.537 -0.912 . . . . 73.010000000000005 108.537 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -76.03 166.94 22.75 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.449 -0.9 . . . . 63.219999999999999 109.7 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -62.05 -40.01 94.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.528 0.936 . . . . 72.400000000000006 113.528 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.79 -37.81 88.88 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.247 -0.981 . . . . 72.230000000000004 112.434 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.76 -38.12 86.82 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.748 0.647 . . . . 74.400000000000006 112.748 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.94 -39.34 74.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.291 -0.564 . . . . 62.119999999999997 111.53 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.099999999999994 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.519999999999996 112.132 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.129999999999995 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.329999999999998 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.209999999999994 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.120000000000005 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.549999999999997 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.230000000000004 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.009999999999998 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.009999999999998 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.409999999999997 113.093 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.439999999999998 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.450000000000003 110.66 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.010000000000005 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.430000000000007 110.35 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.019999999999996 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.340000000000003 112.552 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.219999999999999 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.329999999999998 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.329999999999998 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.520000000000003 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.439999999999998 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.109999999999999 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.019999999999996 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.329999999999998 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.230000000000004 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.140000000000001 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.400000000000006 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.100000000000001 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.209999999999994 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.230000000000004 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.539999999999999 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.409999999999997 112.196 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.049999999999997 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.310000000000002 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.010000000000005 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.310000000000002 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.319999999999993 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.340000000000003 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.550000000000001 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.48 -38.86 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.3 95.33 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.419 0.896 . . . . 75.400000000000006 113.419 -176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 46.2 tt0 -61.02 -37.83 83.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.961 -1.096 . . . . 75.439999999999998 109.472 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -125.98 80.58 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 114.698 -1.137 . . . . 70.239999999999995 110.143 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' LYS . 52.8 Cg_exo -54.4 -18.56 15.0 Favored 'Trans proline' 0 C--N 1.302 -1.918 0 C-N-CA 122.231 1.954 . . . . 74.140000000000001 111.491 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' PRO . 98.8 mttt . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 118.016 -0.993 . . . . 61.530000000000001 112.144 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.718 -0.475 . . . . 62.329999999999998 109.718 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 t 38.42 90.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.126 0.489 . . . . 72.120000000000005 110.639 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.12 144.81 55.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.354 -0.839 . . . . 64.540000000000006 112.462 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -54.99 -31.74 61.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.545 -0.909 . . . . 74.530000000000001 108.545 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.63 161.68 30.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.612 -1.176 . . . . 65.430000000000007 109.627 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.01 138.31 36.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 73.010000000000005 110.049 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -88.09 146.27 25.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.52 -0.764 . . . . 63.219999999999999 110.308 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -57.27 -38.98 74.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 72.400000000000006 111.824 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.01 -37.4 79.59 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.113 -1.035 . . . . 72.230000000000004 110.169 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -39.5 85.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.382 -0.527 . . . . 74.400000000000006 110.971 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.79 -38.94 79.69 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.713 -0.676 . . . . 62.119999999999997 110.97 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.099999999999994 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.519999999999996 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.129999999999995 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.329999999999998 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.209999999999994 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.120000000000005 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.549999999999997 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.230000000000004 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.009999999999998 112.982 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.009999999999998 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' ND2' ' CB ' ' A' ' 57' ' ' ALA . 87.6 m-20 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.409999999999997 114.021 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.439999999999998 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.450000000000003 110.173 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.010000000000005 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.430000000000007 110.714 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.019999999999996 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.340000000000003 111.418 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.219999999999999 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.329999999999998 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.329999999999998 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.520000000000003 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.439999999999998 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.109999999999999 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.019999999999996 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.329999999999998 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.230000000000004 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.140000000000001 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.400000000000006 113.021 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.100000000000001 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.209999999999994 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.230000000000004 110.906 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.539999999999999 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.409999999999997 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.049999999999997 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.310000000000002 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.010000000000005 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.310000000000002 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.319999999999993 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.340000000000003 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.550000000000001 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -63.18 -42.61 99.39 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.12 49.82 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.581 0.956 . . . . 75.400000000000006 113.581 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.73 -38.94 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.423 0.63 . . . . 75.439999999999998 110.783 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -128.25 80.3 72.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 114.861 -1.063 . . . . 70.239999999999995 111.456 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.14 -22.14 24.52 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 121.591 1.527 . . . . 74.140000000000001 109.844 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.963 -1.018 . . . . 61.530000000000001 111.144 178.477 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.322 -0.622 . . . . 62.329999999999998 109.322 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.78 135.31 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.134 -0.485 . . . . 72.120000000000005 110.389 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.17 114.44 21.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.121 0.486 . . . . 64.540000000000006 110.001 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 79.8 m-20 -89.71 4.36 49.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.395 1.257 . . . . 74.530000000000001 114.395 -178.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -59.15 -36.53 75.42 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.592 -1.243 . . . . 65.430000000000007 112.702 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 9' ' ' GLU . 97.7 m-85 -60.96 -40.16 92.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 120.05 -0.66 . . . . 73.010000000000005 112.689 -178.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 4' ' ' ASN . 3.7 m120 15.99 -102.87 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.279 1.215 . . . . 63.219999999999999 114.279 179.109 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.65 -39.68 81.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 118.73 -1.188 . . . . 72.400000000000006 109.615 -177.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 6' ' ' PHE . 47.0 tp10 -62.33 -37.4 85.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.455 -0.898 . . . . 72.230000000000004 108.706 176.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.96 -40.56 89.47 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.378 1.085 . . . . 74.400000000000006 109.367 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -59.0 -39.38 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.189 -1.369 . . . . 62.119999999999997 111.223 -179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.582 ' C ' HD21 ' A' ' 12' ' ' ASN . 0.1 OUTLIER -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.099999999999994 111.009 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.519999999999996 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.129999999999995 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.329999999999998 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.209999999999994 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.120000000000005 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.549999999999997 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.445 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.230000000000004 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.009999999999998 112.785 -177.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.009999999999998 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' ND2' ' CB ' ' A' ' 57' ' ' ALA . 85.2 m-20 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.409999999999997 112.488 -179.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.439999999999998 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.572 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.450000000000003 108.56 178.175 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.010000000000005 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.430000000000007 111.232 178.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.019999999999996 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.340000000000003 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.219999999999999 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.329999999999998 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.329999999999998 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.5 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.520000000000003 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.439999999999998 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.109999999999999 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.019999999999996 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.329999999999998 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.230000000000004 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.140000000000001 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.400000000000006 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.100000000000001 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.209999999999994 110.075 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.230000000000004 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.539999999999999 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.409999999999997 110.969 -177.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.049999999999997 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.310000000000002 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.010000000000005 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.310000000000002 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.319999999999993 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.340000000000003 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.550000000000001 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.59 -40.22 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.9 77.4 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.483 -0.887 . . . . 75.400000000000006 112.533 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.32 -35.49 79.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.781 0.801 . . . . 75.439999999999998 110.023 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -126.68 83.88 64.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 114.235 -1.348 . . . . 70.239999999999995 111.485 -177.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.92 -19.69 11.76 Favored 'Trans proline' 0 C--N 1.301 -1.97 0 C-N-CA 121.231 1.288 . . . . 74.140000000000001 108.968 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--O 1.221 -0.443 0 CA-C-N 114.823 -1.08 . . . . 61.530000000000001 111.337 177.998 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.431 -0.581 . . . . 62.329999999999998 109.431 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.66 143.12 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.106 -0.497 . . . . 72.120000000000005 110.43 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.77 140.86 56.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.177 0.989 . . . . 64.540000000000006 110.991 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -88.52 6.6 37.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.633 -1.621 . . . . 74.530000000000001 112.384 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.33 -35.38 71.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 65.430000000000007 110.434 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.06 155.5 32.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.855 -0.611 . . . . 73.010000000000005 110.44 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.78 137.57 39.0 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.346 -0.613 . . . . 63.219999999999999 109.346 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -58.15 -36.4 72.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 72.400000000000006 111.264 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.35 -32.65 73.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.616 -0.833 . . . . 72.230000000000004 111.184 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -59.07 -38.39 79.3 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.593 -0.443 . . . . 74.400000000000006 110.494 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.07 -38.91 77.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 62.119999999999997 110.65 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.099999999999994 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.519999999999996 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.129999999999995 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.329999999999998 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.209999999999994 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.120000000000005 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.549999999999997 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.230000000000004 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.009999999999998 111.338 -178.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.009999999999998 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.409999999999997 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.59 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.439999999999998 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.644 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.450000000000003 111.224 -178.778 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.010000000000005 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' N ' HD21 ' A' ' 24' ' ' ASN . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.644 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.430000000000007 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.59 HH21 ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.019999999999996 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.340000000000003 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.219999999999999 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.329999999999998 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.329999999999998 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.520000000000003 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.439999999999998 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.109999999999999 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.019999999999996 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.329999999999998 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.230000000000004 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.140000000000001 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.400000000000006 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.100000000000001 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.209999999999994 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.230000000000004 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.539999999999999 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.409999999999997 110.886 -177.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.049999999999997 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.310000000000002 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.010000000000005 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.310000000000002 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.319999999999993 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.340000000000003 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.550000000000001 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.44 -38.25 83.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.29 83.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.644 0.979 . . . . 75.400000000000006 113.644 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -57.57 -39.15 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.828 -0.749 . . . . 75.439999999999998 111.209 -178.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.22 60.8 9.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.425 . . . . 70.239999999999995 111.425 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.57 -23.83 72.7 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.281 1.988 . . . . 74.140000000000001 111.744 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.037 -0.982 . . . . 61.530000000000001 110.679 -178.828 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.381 -0.6 . . . . 62.329999999999998 109.381 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.54 -39.9 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 110.208 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 3' ' ' ASP . 50.4 p30 -152.36 167.17 29.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 64.540000000000006 110.915 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 4' ' ' ASN . 28.9 p30 -88.55 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.66 . . . . 74.530000000000001 111.787 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -58.69 -35.36 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.515 -0.474 . . . . 65.430000000000007 111.079 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.35 132.2 53.4 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.671 -0.24 . . . . 73.010000000000005 110.733 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -144.86 169.76 17.43 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.048 0.451 . . . . 63.219999999999999 110.62 177.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -59.09 -37.27 76.72 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.607 -0.437 . . . . 72.400000000000006 111.341 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.47 -34.94 78.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.496 -0.482 . . . . 72.230000000000004 111.52 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -58.3 -38.37 76.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.883 -0.727 . . . . 74.400000000000006 109.981 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.54 -36.75 76.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.496 -0.882 . . . . 62.119999999999997 110.073 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.099999999999994 111.098 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.519999999999996 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.129999999999995 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.329999999999998 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.209999999999994 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.120000000000005 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.549999999999997 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.230000000000004 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.009999999999998 111.721 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.009999999999998 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.409999999999997 113.039 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.439999999999998 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.450000000000003 109.213 178.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.010000000000005 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.430000000000007 110.39 178.165 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.019999999999996 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.340000000000003 110.581 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.219999999999999 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.329999999999998 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.329999999999998 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.520000000000003 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.439999999999998 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.109999999999999 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.019999999999996 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.329999999999998 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.230000000000004 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.140000000000001 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.400000000000006 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.100000000000001 109.405 -177.654 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.209999999999994 110.314 177.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.230000000000004 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.539999999999999 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.409999999999997 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.049999999999997 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.310000000000002 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.010000000000005 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.310000000000002 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.319999999999993 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.340000000000003 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.617 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.550000000000001 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.1 -39.69 83.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.03 89.32 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.749 -0.781 . . . . 75.400000000000006 112.572 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 61.6 tt0 -61.05 -37.75 83.74 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.348 -0.541 . . . . 75.439999999999998 111.198 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.87 147.37 98.53 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.436 -0.802 . . . . 70.239999999999995 111.067 -178.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.4 -23.09 61.89 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.683 1.589 . . . . 74.140000000000001 110.688 179.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 pttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 61.530000000000001 110.747 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.305 -0.628 . . . . 62.329999999999998 109.305 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -116.79 134.7 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 110.25 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.37 -37.56 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.540000000000006 110.884 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 58.75 43.42 18.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 110.458 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.35 -35.84 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.391 . . . . 65.430000000000007 111.309 -179.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.01 136.48 49.2 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.91 0.385 . . . . 73.010000000000005 111.195 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -108.06 139.83 42.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.946 -0.57 . . . . 63.219999999999999 109.86 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -57.31 -38.02 73.37 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.224 -0.59 . . . . 72.400000000000006 109.74 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.56 -33.97 76.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 72.230000000000004 110.71 178.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.09 -38.42 73.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.322 -0.399 . . . . 74.400000000000006 111.769 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.11 -37.02 76.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.378 -0.929 . . . . 62.119999999999997 110.004 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.099999999999994 109.992 178.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.519999999999996 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.129999999999995 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.329999999999998 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.209999999999994 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.120000000000005 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.549999999999997 112.046 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.230000000000004 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.009999999999998 111.709 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.009999999999998 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.409999999999997 113.043 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 23' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.439999999999998 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.450000000000003 109.902 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.010000000000005 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.430000000000007 111.058 177.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.019999999999996 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.340000000000003 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.219999999999999 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.329999999999998 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.329999999999998 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.520000000000003 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.439999999999998 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.109999999999999 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.019999999999996 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.329999999999998 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.230000000000004 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.140000000000001 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.400000000000006 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.100000000000001 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.209999999999994 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.230000000000004 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.539999999999999 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.409999999999997 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.049999999999997 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.310000000000002 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.010000000000005 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.310000000000002 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.319999999999993 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.550000000000001 112.344 -178.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 57' ' ' ALA . 21.6 t70 -59.54 -39.94 85.59 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.84 86.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.157 0.799 . . . . 75.400000000000006 113.157 -179.193 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -58.9 -37.41 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.386 -0.37 . . . . 75.439999999999998 111.848 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -122.39 162.7 36.55 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.278 -0.419 . . . . 70.239999999999995 110.597 -178.205 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.17 -23.58 54.15 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.558 2.172 . . . . 74.140000000000001 111.513 179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' OXT' ' OD1' ' A' ' 54' ' ' ASP . 26.5 tptp . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.995 -1.003 . . . . 61.530000000000001 109.975 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.493 -0.558 . . . . 62.329999999999998 109.493 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 m -69.96 -28.54 36.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 72.120000000000005 110.054 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.41 119.47 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.941 -0.572 . . . . 64.540000000000006 110.309 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -85.57 5.12 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 74.530000000000001 110.466 -179.095 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -73.9 138.72 44.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.333 -0.848 . . . . 65.430000000000007 110.813 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.51 139.46 40.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.129 -0.693 . . . . 73.010000000000005 109.129 -179.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -70.81 160.75 32.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.65 0.738 . . . . 63.219999999999999 112.017 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -58.74 -38.18 77.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.574 -0.739 . . . . 72.400000000000006 110.974 -178.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.55 -36.69 85.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 119.331 -0.948 . . . . 72.230000000000004 109.592 178.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.76 -37.21 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.584 -0.735 . . . . 74.400000000000006 111.707 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.98 -37.23 81.73 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.119999999999997 110.151 179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.099999999999994 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.519999999999996 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.129999999999995 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.329999999999998 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.209999999999994 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.120000000000005 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.549999999999997 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.230000000000004 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.009999999999998 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.009999999999998 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 81.7 m-20 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.409999999999997 113.353 -178.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.439999999999998 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.562 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.450000000000003 109.286 178.776 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.010000000000005 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.430000000000007 111.754 178.485 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.553 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.019999999999996 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.340000000000003 110.886 179.584 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.219999999999999 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.329999999999998 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.329999999999998 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.520000000000003 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.439999999999998 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.109999999999999 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.019999999999996 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.329999999999998 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.230000000000004 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.140000000000001 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.400000000000006 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.100000000000001 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.209999999999994 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.230000000000004 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.539999999999999 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.409999999999997 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.049999999999997 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.310000000000002 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.010000000000005 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.310000000000002 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.319999999999993 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.340000000000003 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 22' ' ' ASN . 21.4 t-20 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.550000000000001 111.56 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.53 -39.27 87.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.65 -58.36 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.777 1.399 . . . . 75.400000000000006 114.777 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.76 -40.36 92.2 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.872 -0.731 . . . . 75.439999999999998 112.376 -178.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.26 77.4 70.82 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 115.841 -0.618 . . . . 70.239999999999995 111.245 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.04 141.2 79.74 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 C-N-CA 120.745 0.963 . . . . 74.140000000000001 111.127 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 61.530000000000001 110.656 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 23.1 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.332 -0.618 . . . . 62.329999999999998 109.332 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 89.9 t -60.95 -39.22 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 72.120000000000005 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 57.76 47.71 15.06 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.158 0.799 . . . . 64.540000000000006 113.158 179.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -54.21 -35.32 62.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.061 -0.348 . . . . 74.530000000000001 110.061 179.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -95.24 142.42 27.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.29 -0.414 . . . . 65.430000000000007 109.924 178.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.39 152.11 37.37 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.943 0.401 . . . . 73.010000000000005 110.947 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -103.58 125.19 49.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.324 -0.621 . . . . 63.219999999999999 109.324 178.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -57.42 -35.52 70.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.44 -0.504 . . . . 72.400000000000006 110.248 -178.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -35.1 78.66 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.162 -0.615 . . . . 72.230000000000004 110.794 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.59 -38.27 77.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.96 0.41 . . . . 74.400000000000006 110.549 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.87 -38.27 72.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 62.119999999999997 110.665 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.099999999999994 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.519999999999996 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.129999999999995 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.329999999999998 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.209999999999994 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.120000000000005 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.549999999999997 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.230000000000004 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.009999999999998 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.009999999999998 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.409999999999997 113.244 -179.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.439999999999998 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.551 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.450000000000003 109.326 179.22 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.010000000000005 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.508 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.430000000000007 110.879 177.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.019999999999996 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.340000000000003 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.219999999999999 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.329999999999998 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.329999999999998 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.520000000000003 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.439999999999998 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.109999999999999 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.019999999999996 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.329999999999998 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.230000000000004 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.140000000000001 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.400000000000006 113.742 -179.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.100000000000001 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.209999999999994 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.230000000000004 110.915 178.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.539999999999999 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.409999999999997 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.049999999999997 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.310000000000002 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.010000000000005 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.310000000000002 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.319999999999993 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.340000000000003 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.550000000000001 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.11 -39.81 83.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.1 89.25 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 119.68 -0.808 . . . . 75.400000000000006 112.269 -178.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.02 -37.85 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.223 0.535 . . . . 75.439999999999998 110.689 179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' CB ' ' HZ2' ' A' ' 59' ' ' LYS . . . -68.82 148.16 97.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.312 -0.858 . . . . 70.239999999999995 111.052 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -22.52 56.46 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.577 1.518 . . . . 74.140000000000001 110.588 179.075 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HZ2' ' CB ' ' A' ' 57' ' ' ALA . 30.5 mtmm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.036 -0.983 . . . . 61.530000000000001 110.549 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.494 -0.558 . . . . 62.329999999999998 109.494 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.58 134.9 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 72.120000000000005 109.973 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.72 139.61 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 64.540000000000006 110.458 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -86.87 4.89 39.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 74.530000000000001 110.285 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -58.02 -37.13 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 65.430000000000007 111.461 -178.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -118.53 152.87 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.236 0.541 . . . . 73.010000000000005 111.937 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' OD1' ' OE1' ' A' ' 9' ' ' GLU . 45.1 t-20 -100.89 130.08 46.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.572 -1.27 . . . . 63.219999999999999 107.572 177.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -57.23 -36.95 71.54 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.658 -0.817 . . . . 72.400000000000006 111.451 -176.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE1' ' OD1' ' A' ' 7' ' ' ASN . 59.7 mp0 -64.31 -36.54 84.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 118.774 -1.17 . . . . 72.230000000000004 110.916 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.62 -37.22 80.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.78 -0.645 . . . . 74.400000000000006 112.5 179.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -55.55 -38.63 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 62.119999999999997 112.385 -176.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.099999999999994 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.519999999999996 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.129999999999995 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.329999999999998 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.209999999999994 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.120000000000005 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.549999999999997 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.230000000000004 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.009999999999998 112.638 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.009999999999998 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.409999999999997 112.66 -179.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' HD21 ' A' ' 53' ' ' ASN . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.439999999999998 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.450000000000003 108.636 178.191 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.010000000000005 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.430000000000007 110.876 178.38 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.019999999999996 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.340000000000003 111.755 179.443 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.219999999999999 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.329999999999998 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.329999999999998 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.8 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.520000000000003 111.19 -178.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.109999999999999 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.019999999999996 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.329999999999998 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.230000000000004 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' A' ' 41' ' ' GLN . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.140000000000001 111.554 179.241 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' N ' ' HG ' ' A' ' 40' ' ' SER . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.400000000000006 113.032 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 43' ' ' ALA . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.100000000000001 109.64 -178.001 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.209999999999994 109.837 177.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.230000000000004 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.539999999999999 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.409999999999997 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.049999999999997 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.310000000000002 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.010000000000005 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.310000000000002 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.319999999999993 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.340000000000003 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.486 HD21 ' CD1' ' A' ' 23' ' ' LEU . 20.0 t-20 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.550000000000001 112.737 -178.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.26 -40.54 82.06 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.11 88.75 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.875 -0.73 . . . . 75.400000000000006 110.91 179.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -35.09 76.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.986 -1.006 . . . . 75.439999999999998 111.429 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 151.8 94.09 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 70.239999999999995 110.846 -178.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.86 -22.51 30.2 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.13 1.22 . . . . 74.140000000000001 110.672 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.946 -1.026 . . . . 61.530000000000001 111.022 179.943 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.455 -0.572 . . . . 62.329999999999998 109.455 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 m -128.81 158.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.586 -0.734 . . . . 72.120000000000005 109.897 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 3' ' ' ASP . 50.4 p30 -149.16 170.73 17.76 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.298 0.571 . . . . 64.540000000000006 111.614 -179.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' C ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -86.91 9.18 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.25 -0.887 . . . . 74.530000000000001 110.824 -179.772 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' N ' HD21 ' A' ' 4' ' ' ASN . 63.0 tttm -57.02 -37.68 72.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.702 -0.681 . . . . 65.430000000000007 112.169 -178.01 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -102.14 127.78 48.92 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.768 0.655 . . . . 73.010000000000005 112.768 -179.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -120.26 132.17 55.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.789 -1.096 . . . . 63.219999999999999 108.244 176.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -57.2 -36.18 70.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.142 -1.023 . . . . 72.400000000000006 111.199 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.91 -34.52 74.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.839 -0.744 . . . . 72.230000000000004 110.041 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.518 HE21 ' CB ' ' A' ' 42' ' ' SER . 49.3 tt0 -56.85 -36.57 70.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.876 -0.602 . . . . 74.400000000000006 111.156 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -54.62 -38.35 66.71 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.011 -1.076 . . . . 62.119999999999997 110.496 -178.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.099999999999994 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.519999999999996 110.415 -178.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.129999999999995 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.329999999999998 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.209999999999994 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.120000000000005 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.549999999999997 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.230000000000004 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.009999999999998 112.95 -177.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.009999999999998 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.607 HD21 ' ND2' ' A' ' 53' ' ' ASN . 82.8 m-20 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.409999999999997 112.357 -178.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.439999999999998 112.557 -176.221 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.581 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.450000000000003 108.5 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.010000000000005 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.430000000000007 111.656 178.392 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.019999999999996 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.9 t-20 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.340000000000003 111.839 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.219999999999999 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.329999999999998 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.329999999999998 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.0 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.520000000000003 111.675 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.439999999999998 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.109999999999999 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.019999999999996 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.329999999999998 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.230000000000004 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.140000000000001 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.400000000000006 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' HE21 ' A' ' 10' ' ' GLN . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.100000000000001 110.241 -177.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.209999999999994 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.539999999999999 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.409999999999997 111.485 -178.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.049999999999997 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.310000000000002 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.010000000000005 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.310000000000002 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.319999999999993 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.340000000000003 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 22' ' ' ASN . 21.1 t-20 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.550000000000001 111.933 -179.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.6 -40.37 91.53 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -50.5 52.32 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 119.26 -0.976 . . . . 75.400000000000006 112.595 -177.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 23' ' ' LEU . 94.2 mt-30 -62.59 -34.29 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 75.439999999999998 111.531 178.508 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -124.31 80.97 58.97 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 115.37 -0.832 . . . . 70.239999999999995 111.588 -177.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.03 -19.91 28.22 Favored 'Trans proline' 0 C--N 1.302 -1.9 0 C-N-CA 122.522 2.148 . . . . 74.140000000000001 112.298 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.947 -1.025 . . . . 61.530000000000001 110.608 -178.632 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.392 -0.596 . . . . 62.329999999999998 109.392 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.66 136.41 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.938 -0.574 . . . . 72.120000000000005 109.795 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -138.27 -179.2 5.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.968 0.413 . . . . 64.540000000000006 111.501 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 61.08 41.49 13.71 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 107.146 -1.427 . . . . 74.530000000000001 107.146 -176.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.95 -34.78 72.16 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.043 -1.889 . . . . 65.430000000000007 110.255 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -135.02 162.61 31.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.531 -0.759 . . . . 73.010000000000005 109.359 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -101.6 131.57 47.74 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.414 -0.587 . . . . 63.219999999999999 109.414 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -56.31 -37.37 69.82 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.373 -0.531 . . . . 72.400000000000006 110.929 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.78 -33.22 74.74 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.479 -0.888 . . . . 72.230000000000004 109.506 178.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -56.27 -37.18 69.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.491 -0.322 . . . . 74.400000000000006 110.599 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.79 -38.04 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.823 -0.751 . . . . 62.119999999999997 109.217 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.519999999999996 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.129999999999995 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.329999999999998 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.209999999999994 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.120000000000005 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.549999999999997 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.230000000000004 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.009999999999998 112.88 -176.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.009999999999998 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.409999999999997 113.152 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD11 ' H ' ' A' ' 23' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.439999999999998 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.56 ' C ' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.450000000000003 109.055 179.115 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.010000000000005 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.430000000000007 110.997 177.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.019999999999996 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.340000000000003 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.219999999999999 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.329999999999998 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.329999999999998 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.520000000000003 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.439999999999998 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.109999999999999 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.019999999999996 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.329999999999998 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.230000000000004 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.140000000000001 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.400000000000006 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.100000000000001 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.209999999999994 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.230000000000004 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.539999999999999 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.409999999999997 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.049999999999997 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.310000000000002 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.010000000000005 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.310000000000002 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.319999999999993 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.340000000000003 110.596 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.550000000000001 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.46 -39.66 80.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.91 85.89 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.483 -0.887 . . . . 75.400000000000006 112.233 -179.032 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.35 -35.51 79.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.164 0.507 . . . . 75.439999999999998 111.723 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.62 147.52 98.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.602 -0.726 . . . . 70.239999999999995 110.829 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.88 -22.68 55.38 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.609 1.54 . . . . 74.140000000000001 110.689 179.396 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.992 -1.004 . . . . 61.530000000000001 110.62 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.735 0.302 . . . . 62.12 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.1 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.52 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.13 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.33 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.525 ' OE1' HD11 ' A' ' 46' ' ' LEU . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.21 111.153 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.12 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.55 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.23 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.01 111.869 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.01 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.41 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 20' ' ' LEU . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.44 113.014 -175.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.45 109.27 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.01 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.43 111.435 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.02 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.22 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.33 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.33 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.52 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.44 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.11 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.33 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.23 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.14 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.4 113.657 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.1 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.21 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.23 110.415 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.54 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD11 ' OE1' ' A' ' 16' ' ' GLU . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.41 110.947 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.05 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.31 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.01 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.31 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.32 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.34 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.55 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.183 0.516 . . . . 62.12 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.1 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.52 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.13 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.33 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.21 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.12 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.55 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.23 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.01 112.493 -177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.01 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.41 113.231 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.44 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.45 110.094 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.01 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.43 111.751 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.02 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.34 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.22 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.33 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.33 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.52 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.44 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.11 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.02 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.33 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.23 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.14 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.4 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.1 109.841 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.21 110.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.23 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.54 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.41 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.05 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.31 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.01 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.31 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.32 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.34 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.8 t30 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.55 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.532 0.206 . . . . 62.12 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.1 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.52 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.13 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.33 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.21 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.12 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.55 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.23 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 23' ' ' LEU . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.01 111.919 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.01 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.41 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 20' ' ' LEU . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.44 112.414 -176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.45 109.467 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.01 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.43 110.529 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.02 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.34 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.22 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.33 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.33 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.52 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.44 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.11 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.02 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.33 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.23 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.14 111.472 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.4 113.499 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.1 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.21 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.23 110.951 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.54 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.41 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.05 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.31 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.01 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.31 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.32 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.34 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.55 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 111.959 0.355 . . . . 62.12 111.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.1 110.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.52 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.13 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.33 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.21 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.12 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.55 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.23 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.01 113.005 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.01 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.41 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.44 112.121 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.45 108.981 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.01 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.43 111.224 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.02 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.34 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.22 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.33 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.33 112.67 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.52 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.44 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.11 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.33 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.23 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.14 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.4 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.1 109.479 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.21 109.541 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.23 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.54 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.41 111.807 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.05 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.31 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.01 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.31 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.32 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.34 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.55 111.412 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.754 0.311 . . . . 62.12 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.1 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.52 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.13 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.33 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.21 111.705 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.12 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.55 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.23 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.01 113.325 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.01 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.41 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.44 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.45 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.01 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' A' ' 52' ' ' LEU . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.43 110.247 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.02 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 32.0 t30 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.34 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.22 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.33 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.33 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.2 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.52 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.44 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.11 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.02 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.33 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.23 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.14 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.4 113.677 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.1 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.21 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.23 110.905 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.54 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.519 HD21 ' OE1' ' A' ' 16' ' ' GLU . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.41 111.005 -178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.05 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.31 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.01 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.31 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 27' ' ' GLN . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.34 111.277 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.55 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.906 0.384 . . . . 62.12 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.1 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.52 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.13 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.33 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.21 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.12 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.55 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.23 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 23' ' ' LEU . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.01 112.718 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.01 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.41 113.293 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.44 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.45 110.016 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.01 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.043 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.02 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.34 113.029 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.22 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.33 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.33 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.52 112.369 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.11 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.02 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.33 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.23 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.14 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.4 113.513 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.1 109.543 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.21 109.988 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.23 110.933 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.54 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.41 111.154 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.05 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.31 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.01 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.31 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.32 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.34 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.559 ' HA ' HD11 ' A' ' 23' ' ' LEU . 21.2 t30 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.55 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.779 0.323 . . . . 62.12 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.1 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.52 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.13 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.33 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.21 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.12 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.55 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.23 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 23' ' ' LEU . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.01 111.501 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.01 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.41 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 20' ' ' LEU . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.44 112.232 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.45 108.686 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.01 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.43 110.94 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.02 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.34 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.22 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.33 111.505 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.33 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.52 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.44 111.038 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.11 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.33 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.23 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.14 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.4 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.1 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.21 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.23 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.54 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.41 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.05 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.31 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.01 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.31 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.32 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.34 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.55 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 111.106 0.039 . . . . 62.12 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.1 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.52 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.13 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 18' ' ' LEU . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.33 111.951 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.21 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.12 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' CE3' ' A' ' 15' ' ' TRP . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.55 111.748 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.23 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 23' ' ' LEU . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.01 111.764 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.01 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.41 113.254 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 20' ' ' LEU . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.44 112.378 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.45 109.487 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.01 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.43 111.336 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.02 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.34 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.22 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.33 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.33 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.52 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.44 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.11 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.02 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.33 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.23 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.14 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.4 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.1 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.21 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.23 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.54 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.05 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.31 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.01 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.31 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.32 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.34 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.55 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.23 0.538 . . . . 62.12 109.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.1 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.52 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.13 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.33 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.21 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.12 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.55 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.23 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 23' ' ' LEU . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.01 112.444 -177.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.01 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.946 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.44 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.45 108.916 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.01 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.43 111.555 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.02 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 37.9 t30 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.34 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.22 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.33 112.722 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.33 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.1 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.52 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.44 111.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.11 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.02 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.33 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.23 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.14 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.4 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.1 112.182 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.21 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.23 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.54 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.41 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.05 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.31 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.01 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.31 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.32 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.34 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.514 ' HA ' HD11 ' A' ' 23' ' ' LEU . 14.9 t30 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.55 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.86 0.362 . . . . 62.12 110.553 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.589 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.52 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.13 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.33 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.21 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.12 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.55 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.23 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.01 111.633 -178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.01 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.41 113.14 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.44 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.45 109.477 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.01 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.43 110.761 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.02 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.34 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.22 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.33 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.33 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.52 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.44 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.11 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.02 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.33 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.23 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.14 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.4 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.1 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.21 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.23 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.54 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.41 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.05 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.31 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.01 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.31 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.32 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.34 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 22.7 t30 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.55 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 111.725 0.268 . . . . 62.12 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.1 110.174 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.52 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.13 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.408 ' CE3' HD12 ' A' ' 18' ' ' LEU . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.33 113.009 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.21 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.12 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CE3' ' A' ' 15' ' ' TRP . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.55 111.69 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.23 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.01 112.587 -176.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.01 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.41 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.44 112.648 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.45 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.01 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.43 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.02 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.34 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.22 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.33 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.33 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.52 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.44 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.11 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.33 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.23 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.14 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.4 113.751 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.1 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.21 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.23 110.261 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.54 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.41 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.05 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.31 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.01 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.31 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.32 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.34 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.55 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.667 0.247 . . . . 62.12 111.667 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.1 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.52 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.13 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.33 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.21 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.12 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.55 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.23 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.01 111.98 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.01 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.41 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.44 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.45 108.519 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.01 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.43 111.407 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.02 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.34 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.22 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.33 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.33 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.52 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.44 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.11 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.02 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.33 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.23 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.14 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.4 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.1 110.041 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.21 110.118 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.23 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.54 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.41 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.05 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.31 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.01 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.31 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.32 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.34 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.55 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 111.616 0.228 . . . . 62.12 111.616 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.1 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.52 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.13 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.33 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.21 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.12 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.55 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.23 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.01 112.155 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.01 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.41 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.44 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.45 109.818 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.01 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.43 111.115 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.02 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.34 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.22 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.33 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.33 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.52 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.44 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.11 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.02 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.33 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.23 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.14 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.4 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.1 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.21 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.23 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.54 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.41 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.05 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.31 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.01 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.31 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.32 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.34 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.55 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.635 -0.505 . . . . 62.12 109.635 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.1 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 46' ' ' LEU . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.52 110.248 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.13 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.33 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.21 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.12 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.55 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.23 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.01 112.066 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.01 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.41 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.44 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.474 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.45 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.43 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.34 111.647 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.22 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.33 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.33 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.52 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.44 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.11 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.02 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.23 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.14 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.4 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.1 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.21 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.23 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.54 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 13' ' ' ALA . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.41 110.192 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.05 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.31 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.01 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.31 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.32 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.34 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.55 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.365 0.126 . . . . 62.12 111.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.1 110.512 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.52 110.599 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.13 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.33 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.12 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.55 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.23 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.01 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.01 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.41 112.282 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.44 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.45 109.681 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.01 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.43 110.725 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.02 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.34 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.22 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.33 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.33 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.52 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.44 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.11 111.79 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.02 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.33 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.23 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.14 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.4 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.1 110.414 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.21 109.65 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.972 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.54 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 13' ' ' ALA . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.41 111.662 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.05 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.31 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.01 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.31 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.32 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.34 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.55 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 62.12 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.1 110.744 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.52 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.13 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.33 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.21 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.12 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.55 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.23 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 23' ' ' LEU . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.01 111.465 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.01 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.41 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 20' ' ' LEU . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.44 111.63 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.45 109.164 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.01 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.122 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.02 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.34 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.22 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.33 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.33 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.52 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.44 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.11 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.02 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.33 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.23 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.14 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.4 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.1 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.21 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.23 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.54 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.41 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.05 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.31 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.01 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.31 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.32 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.34 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.55 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.937 0.398 . . . . 62.12 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.1 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.52 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.13 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.33 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.21 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.12 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.55 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.23 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.01 113.076 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.01 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.41 113.049 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.44 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.45 110.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.01 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HG2' HD12 ' A' ' 23' ' ' LEU . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.43 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.02 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.34 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.22 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.33 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.33 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.52 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.44 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.11 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.02 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.33 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.23 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.14 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.4 113.352 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.1 109.548 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.21 109.66 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.23 110.757 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.54 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 46' ' ' LEU . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.41 111.401 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.05 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.31 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.01 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.31 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.32 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.34 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.55 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.582 0.586 . . . . 62.12 112.582 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.1 109.874 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' ' 46' ' ' LEU . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.52 111.667 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.33 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.21 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.12 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.55 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.23 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 23' ' ' LEU . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.01 111.565 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.01 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.41 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.44 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.469 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.45 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.01 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.43 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.02 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.34 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.22 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.33 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.33 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.52 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.44 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.11 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.02 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.33 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.23 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.14 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.4 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.1 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.21 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.23 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.54 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' HB1' ' A' ' 13' ' ' ALA . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.41 112.019 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.05 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.31 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.01 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.31 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.32 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.34 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HA ' HD11 ' A' ' 23' ' ' LEU . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.55 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.53 0.196 . . . . 62.12 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.1 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.52 112.132 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.13 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.33 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.21 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.12 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.55 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.23 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.01 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.01 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.41 113.093 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.44 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.45 110.66 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.01 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.43 110.35 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.02 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.34 112.552 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.22 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.33 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.33 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.52 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.44 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.11 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.02 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.33 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.23 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.14 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.4 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.1 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.21 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.23 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.54 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' ALA . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.41 112.196 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.05 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.31 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.01 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.31 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.32 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.34 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.55 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.882 0.372 . . . . 62.12 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.1 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.52 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.13 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.33 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.21 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.12 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.55 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.23 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.01 112.982 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.01 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' HD22 ' A' ' 23' ' ' LEU . 87.6 m-20 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.41 114.021 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.44 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.45 110.173 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.01 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.43 110.714 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.02 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.34 111.418 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.22 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.33 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.33 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.52 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.44 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.11 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.02 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.33 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.23 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.14 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.4 113.021 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.1 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.21 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.23 110.906 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.54 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.41 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.05 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.31 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.01 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.31 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.32 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.34 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.55 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.847 0.356 . . . . 62.12 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 13' ' ' ALA . 5.2 p30 -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.1 111.009 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.52 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.13 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.33 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.21 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.12 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.55 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.23 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.01 112.785 -177.323 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.01 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.41 112.488 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.44 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.45 108.56 178.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.01 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.43 111.232 178.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.02 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 34.3 t30 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.34 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.22 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.33 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.33 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.1 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.52 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.44 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.11 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.02 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.33 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.23 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.14 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.4 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.1 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.21 110.075 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.23 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 13' ' ' ALA . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.41 110.969 -177.824 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.05 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.31 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.01 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.31 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.32 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.34 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.55 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.116 0.484 . . . . 62.12 110.65 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.1 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.52 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.13 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.33 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.21 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.12 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.55 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.23 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' A' ' 28' ' ' ARG . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.01 111.338 -178.062 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.01 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.41 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.44 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.45 111.224 -178.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.01 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 HD22 ' A' ' 23' ' ' LEU . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.693 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.02 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.34 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.22 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.33 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.33 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.52 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.44 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.11 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.02 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.33 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.23 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.14 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.4 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.1 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.21 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.23 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.54 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.41 110.886 -177.736 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.05 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.31 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.01 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.31 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.32 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.34 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.55 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.061 0.458 . . . . 62.12 110.073 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.1 111.098 179.551 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.52 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.13 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.33 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.21 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.12 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.55 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.23 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.01 111.721 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.01 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.41 113.039 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.44 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.45 109.213 178.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.01 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.43 110.39 178.165 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.02 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.34 110.581 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.22 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.33 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.33 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.52 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.44 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.11 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.02 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.33 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.23 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.14 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.4 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.1 109.405 -177.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.21 110.314 177.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.23 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.54 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.41 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.05 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.31 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.01 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.31 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.32 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.34 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 23' ' ' LEU . 21.8 t30 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.55 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.211 0.529 . . . . 62.12 110.004 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.1 109.992 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.52 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.13 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.33 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.21 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.12 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.55 112.046 178.727 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.23 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 23' ' ' LEU . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.01 111.709 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.01 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.41 113.043 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.44 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.45 109.902 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.01 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.43 111.058 177.724 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.02 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.34 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.22 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.33 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.33 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.52 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.44 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.11 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.02 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.33 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.23 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.14 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.4 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.1 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.21 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.54 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.41 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.05 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.31 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.01 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.31 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.32 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 22.9 t30 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.55 112.344 -178.175 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.12 110.151 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.1 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.52 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.13 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.33 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.21 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.12 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.55 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.23 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.01 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.01 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.41 113.353 -178.426 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.44 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.566 ' C ' HH12 ' A' ' 28' ' ' ARG . 42.7 p-10 -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.45 109.286 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.01 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.43 111.754 178.485 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.566 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.02 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.34 110.886 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.22 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.33 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.33 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.52 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.44 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.11 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.02 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.33 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.23 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.14 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.4 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.1 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.21 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.23 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.54 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.41 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.05 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.31 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.01 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.31 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.32 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.34 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.55 111.56 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.863 0.363 . . . . 62.12 110.665 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.1 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.52 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.13 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.33 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.21 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.12 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.55 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.23 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.01 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.01 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.41 113.244 -179.437 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.44 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.45 109.326 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.01 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.43 110.879 177.711 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.02 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.34 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.22 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.33 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.33 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.52 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.44 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.11 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.02 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.33 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.23 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.14 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.4 113.742 -179.251 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.1 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.21 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.23 110.915 178.79 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.54 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.05 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.31 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.01 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.31 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.32 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.34 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.55 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 112.385 0.513 . . . . 62.12 112.385 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.1 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.52 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.13 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.33 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.21 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.12 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.55 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.23 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.01 112.638 -177.315 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.01 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.41 112.66 -179.282 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.44 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.45 108.636 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.01 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.43 110.876 178.38 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.02 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.34 111.755 179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.22 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.33 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.33 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.52 111.19 -178.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.44 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.11 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.02 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.33 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.23 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.14 111.554 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.4 113.032 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.1 109.64 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.21 109.837 177.872 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.23 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.54 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.41 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.05 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.31 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.01 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.31 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.32 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.34 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.55 112.737 -178.657 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.496 -0.187 . . . . 62.12 110.496 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.1 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.52 110.415 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.33 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.21 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.12 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.55 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.23 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.01 112.95 -177.535 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.01 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.41 112.357 -178.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.44 112.557 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.45 108.5 177.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.01 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.43 111.656 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.02 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.34 111.839 178.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.33 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.33 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.52 111.675 -178.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.44 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.11 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.02 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.33 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.23 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.14 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.4 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.1 110.241 -177.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.21 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.23 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.54 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 13' ' ' ALA . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.41 111.485 -178.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.05 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.31 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.01 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.31 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.32 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.34 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.55 111.933 -179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.217 -0.66 . . . . 62.12 109.217 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.52 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.13 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.33 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.21 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.12 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.55 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.23 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' LEU . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.01 112.88 -176.474 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.01 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.41 113.152 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.44 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.45 109.055 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.01 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.43 110.997 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.02 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.34 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.33 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.33 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.52 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.44 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.11 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.23 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.14 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.4 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.1 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.21 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.23 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.54 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.41 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.05 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.31 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.01 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.31 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.32 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 23' ' ' LEU . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.34 110.596 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.55 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.7 p30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.819 -0.438 . . . . 62.33 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 42.7 t -117.14 135.09 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.357 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.17 118.73 23.79 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.272 0.558 . . . . 64.54 110.79 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -55.81 -34.66 65.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.192 -0.913 . . . . 74.53 111.06 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -91.56 142.74 27.31 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.982 0.42 . . . . 65.43 110.761 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -138.05 163.58 31.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.726 -0.67 . . . . 73.01 110.383 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -101.74 137.24 40.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.668 -0.864 . . . . 63.22 108.668 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.78 -39.2 76.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.492 -0.483 . . . . 72.4 111.678 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.22 -35.54 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.793 -0.763 . . . . 72.23 110.74 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.13 -38.27 79.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 74.4 111.269 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -57.21 -38.37 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 62.12 110.874 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.1 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.52 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.13 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.33 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.525 ' OE1' HD11 ' A' ' 46' ' ' LEU . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.21 111.153 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.12 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.55 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.23 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.01 111.869 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.01 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.41 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 20' ' ' LEU . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.44 113.014 -175.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.45 109.27 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.01 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.43 111.435 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.02 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.22 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.33 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.33 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.52 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.44 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.11 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.33 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.23 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.14 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.4 113.657 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.1 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.21 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.23 110.415 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.54 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD11 ' OE1' ' A' ' 16' ' ' GLU . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.41 110.947 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.05 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.31 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.01 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.31 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.32 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.34 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.55 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -59.91 -38.66 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.56 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.072 1.138 . . . . 75.4 114.072 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.98 -39.68 82.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.6 -0.84 . . . . 75.44 110.845 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 39.59 63.58 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.581 -0.736 . . . . 70.24 111.866 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -24.23 59.65 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.833 1.688 . . . . 74.14 111.651 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.9 mttp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.955 -1.021 . . . . 61.53 110.572 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 62.33 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 4' ' ' ASN . 42.7 t -116.74 134.56 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.297 -0.411 . . . . 72.12 110.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.57 -37.56 73.34 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 64.54 110.609 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' H ' HG12 ' A' ' 2' ' ' VAL . 78.2 m-20 59.34 43.7 16.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.631 0.604 . . . . 74.53 112.631 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.32 151.16 19.79 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 65.43 111.486 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -131.38 162.85 29.2 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.56 -0.745 . . . . 73.01 109.102 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -103.92 133.53 48.74 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.289 0.566 . . . . 63.22 111.506 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -58.68 -35.05 71.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.44 -0.8 . . . . 72.4 109.782 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.06 -35.1 77.62 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.141 -0.623 . . . . 72.23 110.276 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.745 -0.782 . . . . 74.4 109.226 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.81 -37.28 76.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.168 -0.924 . . . . 62.12 110.005 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.1 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.52 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.13 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.33 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.21 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.12 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.55 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.23 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.01 112.493 -177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.01 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.559 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 8.5 m120 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.41 113.231 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.44 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.45 110.094 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.01 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.43 111.751 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.02 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.34 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.22 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.33 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.33 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.52 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.44 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.11 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.02 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.33 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.23 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.14 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.4 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.1 109.841 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.21 110.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.23 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.54 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.41 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.05 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.31 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.01 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.31 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.32 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.34 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.8 t30 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.55 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.66 -39.37 84.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.74 89.3 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.216 0.821 . . . . 75.4 113.216 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.3 tt0 -61.22 -38.19 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.592 -0.843 . . . . 75.44 110.652 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . . . -126.84 78.81 73.17 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.002 -0.999 . . . . 70.24 110.995 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.73 -17.57 18.38 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 120.858 1.039 . . . . 74.14 110.929 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' NZ ' ' HB1' ' A' ' 57' ' ' ALA . 20.4 pttm . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.034 -0.984 . . . . 61.53 110.999 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.483 -0.562 . . . . 62.33 109.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 4' ' ' ASN . 41.9 t -117.13 135.72 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.119 0.485 . . . . 72.12 109.972 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -56.76 -37.0 70.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.236 -0.438 . . . . 64.54 111.401 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' H ' HG12 ' A' ' 2' ' ' VAL . 75.0 m-20 -84.4 5.89 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.424 . . . . 74.53 110.884 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -57.49 -36.78 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 65.43 110.509 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -134.66 162.34 32.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.891 0.377 . . . . 73.01 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.25 124.2 47.41 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.084 -0.507 . . . . 63.22 109.653 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -57.53 -35.16 69.94 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.179 -0.608 . . . . 72.4 109.89 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.25 -36.16 74.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.051 -0.66 . . . . 72.23 109.873 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.43 -37.92 76.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.186 0.517 . . . . 74.4 110.307 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.15 -37.88 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 62.12 110.694 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.1 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.52 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.13 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.33 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.21 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.12 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.55 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.23 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 23' ' ' LEU . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.01 111.919 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.01 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.41 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 20' ' ' LEU . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.44 112.414 -176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.45 109.467 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.01 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.43 110.529 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.02 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.34 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.22 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.33 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.33 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.52 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.44 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.11 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.02 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.33 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.23 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.14 111.472 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.4 113.499 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.1 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.21 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.23 110.951 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.54 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.41 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.05 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.31 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.01 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.31 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.32 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.34 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.55 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.0 t0 -59.21 -39.26 82.1 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.182 0.808 . . . . 75.4 113.182 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -59.11 -38.68 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.445 0.535 . . . . 75.44 112.445 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.61 160.8 62.77 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 120.8 0.333 . . . . 70.24 111.314 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 17.8 Cg_endo -58.62 -23.96 68.02 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.682 2.255 . . . . 74.14 111.107 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.993 -1.004 . . . . 61.53 110.649 -179.592 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.318 -0.623 . . . . 62.33 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 m -128.71 159.4 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.655 -0.702 . . . . 72.12 109.203 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -81.44 114.67 20.34 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 122.125 0.964 . . . . 64.54 110.39 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 22.7 p30 -91.06 9.07 32.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.574 -1.648 . . . . 74.53 113.186 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.46 132.91 35.2 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.416 -0.914 . . . . 65.43 111.659 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.5 157.44 33.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 114.325 -1.307 . . . . 73.01 110.549 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -100.59 134.57 43.36 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.239 -1.393 . . . . 63.22 107.239 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.12 -37.23 74.19 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.191 -0.604 . . . . 72.4 112.118 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.66 -35.6 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.693 -0.803 . . . . 72.23 110.543 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.441 HE21 HD21 ' A' ' 35' ' ' LEU . 63.3 tt0 -59.47 -39.32 83.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.712 0.634 . . . . 74.4 112.712 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.22 -37.33 79.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.181 -0.608 . . . . 62.12 111.959 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.1 110.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.52 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.13 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.33 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.21 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.12 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.55 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.23 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.01 113.005 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.01 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.41 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.44 112.121 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.45 108.981 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.01 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.43 111.224 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.02 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.34 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.22 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.33 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.33 112.67 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.52 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.44 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD21 HE21 ' A' ' 10' ' ' GLN . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.11 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.33 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.23 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.14 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.4 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.1 109.479 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.21 109.541 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.23 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.54 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.41 111.807 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.05 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.31 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.01 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.31 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.32 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.34 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.55 111.412 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.11 -39.61 90.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.85 93.77 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.983 1.105 . . . . 75.4 113.983 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -59.68 -39.35 84.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.593 -0.843 . . . . 75.44 110.236 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 34.13 59.74 2.03 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.331 -0.85 . . . . 70.24 112.007 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.15 -24.37 76.73 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.97 1.78 . . . . 74.14 111.69 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.035 -0.983 . . . . 61.53 110.621 -178.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.242 -0.651 . . . . 62.33 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t 35.18 79.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.272 -0.422 . . . . 72.12 111.157 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.35 141.81 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 64.54 112.012 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -56.42 -32.61 65.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.437 -1.256 . . . . 74.53 111.412 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.93 -33.28 66.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.753 -0.658 . . . . 65.43 112.679 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.62 132.67 49.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.647 0.737 . . . . 73.01 111.729 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -106.46 139.18 41.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.423 -1.262 . . . . 63.22 109.593 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.31 -35.12 67.18 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.878 -0.729 . . . . 72.4 110.962 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.27 -33.59 74.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.013 -0.675 . . . . 72.23 110.012 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.52 HE21 HD11 ' A' ' 35' ' ' LEU . 62.1 tt0 -56.63 -37.14 70.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.92 -0.582 . . . . 74.4 109.997 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.37 -37.52 67.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.636 -0.711 . . . . 62.12 110.234 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.1 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.52 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.13 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.33 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.21 111.705 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.12 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.55 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.23 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.01 113.325 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.01 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.41 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.44 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.45 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.01 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' A' ' 52' ' ' LEU . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.43 110.247 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.02 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 32.0 t30 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.34 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.22 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.33 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.33 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.2 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.52 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.44 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD11 HE21 ' A' ' 10' ' ' GLN . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.11 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.02 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.33 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.23 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.14 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.4 113.677 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.1 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.21 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.23 110.905 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.54 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.519 HD21 ' OE1' ' A' ' 16' ' ' GLU . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.41 111.005 -178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.05 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.31 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.01 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.31 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 27' ' ' GLN . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.34 111.277 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.55 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.61 83.94 Favored 'General case' 0 C--N 1.335 -0.062 0 C-N-CA 119.194 -1.002 . . . . 75.4 111.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.35 -36.12 81.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.007 -0.542 . . . . 75.44 111.157 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.43 147.52 96.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 70.24 110.724 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.2 -22.34 56.36 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.537 1.491 . . . . 74.14 110.398 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.024 -0.989 . . . . 61.53 110.086 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 t0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.5 -0.556 . . . . 62.33 109.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -117.11 135.02 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.259 -0.428 . . . . 72.12 110.442 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.02 119.4 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.307 0.575 . . . . 64.54 111.39 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -55.44 -33.81 63.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.146 -0.934 . . . . 74.53 110.306 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.64 149.01 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.811 -0.632 . . . . 65.43 110.697 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.04 156.41 28.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.509 -0.768 . . . . 73.01 110.678 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -95.2 145.08 25.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.892 -0.594 . . . . 63.22 110.004 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.47 -40.98 79.7 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.292 -0.563 . . . . 72.4 112.129 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.62 -37.91 89.21 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 118.178 -1.409 . . . . 72.23 109.255 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -62.74 -36.36 82.76 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.101 -0.954 . . . . 74.4 112.354 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.03 -39.0 77.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 62.12 110.946 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.1 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.52 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.13 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.33 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.21 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.12 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.55 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.23 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 23' ' ' LEU . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.01 112.718 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.01 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.508 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.41 113.293 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.44 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.45 110.016 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.01 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.043 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.02 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.34 113.029 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.22 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.33 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.33 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.52 112.369 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.11 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.02 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.33 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.23 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.14 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.4 113.513 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.1 109.543 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.21 109.988 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.23 110.933 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.54 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.41 111.154 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.05 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.31 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.01 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.31 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.32 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.34 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.559 ' HA ' HD11 ' A' ' 23' ' ' LEU . 21.2 t30 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.55 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.27 -39.66 83.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.79 94.27 Favored 'General case' 0 N--CA 1.46 0.069 0 C-N-CA 120.055 -0.658 . . . . 75.4 112.263 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.237 0.542 . . . . 75.44 110.756 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -127.46 79.67 72.98 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.28 -0.873 . . . . 70.24 110.939 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.52 -17.1 20.76 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 120.798 0.998 . . . . 74.14 111.022 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.999 -1.0 . . . . 61.53 111.216 -178.856 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.812 -0.44 . . . . 62.33 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.87 157.31 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.262 -0.426 . . . . 72.12 110.254 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 56.07 46.18 22.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 64.54 110.525 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -85.66 5.25 32.83 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.834 -0.346 . . . . 74.53 111.14 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -58.87 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.003 -0.74 . . . . 65.43 109.003 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -118.56 156.36 29.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.596 -1.183 . . . . 73.01 109.524 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -96.36 140.65 30.72 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.837 -0.431 . . . . 63.22 109.837 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.64 -36.17 71.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 72.4 111.024 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.85 -35.21 79.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.833 -0.747 . . . . 72.23 110.19 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.86 -37.82 77.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.086 -0.507 . . . . 74.4 110.867 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.67 -38.3 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 62.12 110.624 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.1 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.52 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.13 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.33 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.21 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.12 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.55 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.23 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 23' ' ' LEU . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.01 111.501 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.01 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.41 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 20' ' ' LEU . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.44 112.232 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.45 108.686 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.01 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.43 110.94 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.02 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.34 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.22 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.33 111.505 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.33 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.52 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.44 111.038 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.11 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.33 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.23 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.14 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.4 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.1 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.21 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.23 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.54 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.41 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.05 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.31 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.01 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.31 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.32 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.34 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.55 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.52 -39.6 84.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.21 84.34 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.726 1.01 . . . . 75.4 113.726 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' OE1' HD23 ' A' ' 23' ' ' LEU . 62.1 tt0 -61.3 -36.85 81.23 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.857 -0.737 . . . . 75.44 111.673 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -123.91 81.23 56.36 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 115.621 -0.718 . . . . 70.24 111.842 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LYS . 50.2 Cg_exo -54.42 -18.28 14.41 Favored 'Trans proline' 0 C--N 1.299 -2.028 0 C-N-CA 122.209 1.939 . . . . 74.14 110.424 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PRO . 92.3 mttt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 61.53 111.603 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.4 p30 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.769 -0.456 . . . . 62.33 109.769 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.36 -27.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -55.87 -36.86 68.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.038 -0.727 . . . . 64.54 109.038 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 59.86 43.67 14.72 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.203 1.186 . . . . 74.53 114.203 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -95.55 141.34 29.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.313 -0.625 . . . . 65.43 109.313 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.04 153.19 36.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.124 0.488 . . . . 73.01 111.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.98 131.22 50.1 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.645 -0.872 . . . . 63.22 108.645 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.38 -36.87 69.36 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.521 . . . . 72.4 111.224 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -66.05 -31.19 71.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.2 -1.0 . . . . 72.23 110.386 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.69 -36.51 74.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.312 0.577 . . . . 74.4 110.272 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -55.02 -37.7 66.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 62.12 111.106 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.1 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.52 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.13 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 18' ' ' LEU . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.33 111.951 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.21 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.12 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' CE3' ' A' ' 15' ' ' TRP . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.55 111.748 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.23 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 23' ' ' LEU . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.01 111.764 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.01 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.41 113.254 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 20' ' ' LEU . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.44 112.378 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.45 109.487 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.01 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.43 111.336 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.02 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.34 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.22 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.33 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.33 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.52 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.44 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.11 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.02 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.33 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.23 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.14 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.4 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.1 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.21 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.23 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.54 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.05 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.31 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.01 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.31 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.32 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.34 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.55 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.86 92.67 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.814 0.672 . . . . 75.4 112.814 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.76 -38.33 84.83 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.75 0.786 . . . . 75.44 109.806 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -127.58 85.77 60.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.23 -1.35 . . . . 70.24 111.642 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.12 -19.51 9.04 Favored 'Trans proline' 0 C--N 1.299 -2.04 0 N-CA-C 107.977 -1.586 . . . . 74.14 107.977 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 57' ' ' ALA . 76.3 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-N 114.075 -1.421 . . . . 61.53 110.624 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.338 -0.616 . . . . 62.33 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.18 135.44 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.0 142.87 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.235 0.54 . . . . 64.54 110.142 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.559 ' C ' ' H ' ' A' ' 6' ' ' PHE . 85.9 m-20 -56.27 -35.64 67.68 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.224 -1.028 . . . . 74.53 108.224 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 6' ' ' PHE . 16.0 ttpp 57.16 -7.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.532 -1.213 . . . . 65.43 112.481 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 5' ' ' LYS . 97.2 m-85 -119.52 152.73 36.49 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.149 -0.686 . . . . 73.01 109.149 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -106.0 134.25 49.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.132 0.492 . . . . 63.22 110.409 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -58.24 -35.59 71.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.209 -0.663 . . . . 72.4 109.209 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -34.21 76.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.646 . . . . 72.23 110.616 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -57.62 -39.06 76.06 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.368 -0.533 . . . . 74.4 110.281 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.71 -38.51 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.073 -0.651 . . . . 62.12 109.806 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.1 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.52 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.13 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.33 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.21 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.12 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.55 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.23 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 23' ' ' LEU . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.01 112.444 -177.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.01 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.946 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.44 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.45 108.916 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.01 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.43 111.555 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.02 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 37.9 t30 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.34 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.22 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.33 112.722 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.33 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.1 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.52 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.44 111.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.11 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.02 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.33 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.23 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.14 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.4 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.1 112.182 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.21 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.23 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.54 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.41 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.05 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.31 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.01 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.31 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.32 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.34 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.514 ' HA ' HD11 ' A' ' 23' ' ' LEU . 14.9 t30 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.55 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.23 -40.26 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.13 91.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 115.136 1.532 . . . . 75.4 115.136 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 50.8 tt0 -59.57 -39.42 84.03 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.527 -0.869 . . . . 75.44 111.321 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.25 65.81 4.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 70.24 111.626 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.23 -23.93 48.03 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.01 1.806 . . . . 74.14 112.047 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.054 -0.974 . . . . 61.53 110.618 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.4 p30 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 76.1 t -60.68 -39.6 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 72.12 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.58 142.18 56.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 64.54 110.959 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -87.31 7.84 26.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 74.53 110.79 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.22 149.27 24.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.252 0.548 . . . . 65.43 111.267 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -132.98 164.66 26.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.299 -0.864 . . . . 73.01 109.831 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -98.15 139.27 34.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.148 0.499 . . . . 63.22 110.401 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -57.51 -37.25 72.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 72.4 111.148 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.63 -35.43 77.89 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.472 -0.891 . . . . 72.23 110.44 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.11 -38.94 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 74.4 109.723 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.09 -37.23 74.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.22 -0.9 . . . . 62.12 110.553 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.589 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.52 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.13 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.33 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.21 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.12 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.55 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.23 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.01 111.633 -178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.01 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.41 113.14 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.44 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.45 109.477 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.01 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.43 110.761 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.02 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.34 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.22 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.33 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.33 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.52 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.44 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.11 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.02 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.33 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.23 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.14 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.4 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.1 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.21 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.23 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.54 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.41 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.05 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.31 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.01 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.31 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.32 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.34 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 22.7 t30 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.55 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.33 -39.5 83.34 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.06 94.89 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.227 -0.589 . . . . 75.4 112.301 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -60.24 -36.91 78.82 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.762 0.791 . . . . 75.44 109.302 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . 52.24 174.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 114.344 -1.298 . . . . 70.24 109.897 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 42.3 Cg_exo -55.73 144.47 76.04 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.017 1.811 . . . . 74.14 111.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 22' ' ' ASN . 69.0 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.959 -1.019 . . . . 61.53 110.505 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.502 -0.555 . . . . 62.33 109.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 4' ' ' ASN . 13.7 p -131.66 143.25 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.786 -0.643 . . . . 72.12 110.377 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 55.3 t0 -55.29 -36.43 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 64.54 111.648 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.63 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 1.1 p-10 56.71 42.27 27.08 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.496 0.497 . . . . 74.53 111.062 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -74.19 135.06 42.77 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.1 -0.704 . . . . 65.43 109.1 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 97.9 m-85 -111.85 142.85 43.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.351 0.596 . . . . 73.01 111.563 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -100.19 129.09 46.17 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.04 -35.79 69.72 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.129 -0.629 . . . . 72.4 110.91 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.434 -0.906 . . . . 72.23 110.375 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.78 -37.49 79.23 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.993 -0.549 . . . . 74.4 111.167 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.16 -37.75 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 62.12 111.725 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.1 110.174 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.52 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.13 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.408 ' CE3' HD12 ' A' ' 18' ' ' LEU . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.33 113.009 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.21 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.12 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CE3' ' A' ' 15' ' ' TRP . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.55 111.69 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.23 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.01 112.587 -176.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.01 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.41 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.44 112.648 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.45 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.01 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.43 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.02 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.34 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.22 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.33 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.33 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.52 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.44 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.11 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.33 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.23 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.14 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.4 113.751 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.1 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.21 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.23 110.261 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.54 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.41 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.05 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.31 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.01 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.31 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.32 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.34 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.55 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -57.73 -39.98 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.19 88.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.671 -0.812 . . . . 75.4 111.616 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.63 -35.71 78.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.918 -0.583 . . . . 75.44 111.459 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -67.39 147.46 98.84 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.61 -0.723 . . . . 70.24 111.06 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.03 -22.64 56.44 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.695 1.596 . . . . 74.14 110.678 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.087 -0.958 . . . . 61.53 111.046 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.214 -0.661 . . . . 62.33 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.68 -40.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.12 110.466 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.12 138.88 54.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.507 -0.477 . . . . 64.54 110.642 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -87.57 5.78 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 74.53 111.366 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -89.89 139.97 30.07 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.464 0.649 . . . . 65.43 112.283 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -140.19 163.48 32.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.819 -1.082 . . . . 73.01 108.993 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -103.27 127.49 50.58 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.055 -0.72 . . . . 63.22 109.055 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.12 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.619 -0.433 . . . . 72.4 111.577 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.76 -36.88 80.03 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.123 -0.631 . . . . 72.23 110.55 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.29 -38.89 81.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 74.4 111.354 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.03 -39.79 79.22 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.305 -0.558 . . . . 62.12 111.667 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.1 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.52 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.13 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.33 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.21 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.12 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.55 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.23 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.01 111.98 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.01 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.41 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.44 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.45 108.519 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.01 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.43 111.407 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.02 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.34 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.22 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.33 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.33 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.52 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.44 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.11 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.02 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.33 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.23 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.14 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.4 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.1 110.041 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.21 110.118 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.23 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.54 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.41 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.05 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.31 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.01 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.31 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.32 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.34 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.55 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.36 -39.71 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.11 89.46 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 119.629 -0.828 . . . . 75.4 112.234 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 57' ' ' ALA . 99.9 mm-40 -62.04 -35.63 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.799 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 56' ' ' GLN . . . 55.32 135.14 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.197 -0.911 . . . . 70.24 111.885 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.82 145.49 83.34 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.371 1.38 . . . . 74.14 111.483 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.02 -0.99 . . . . 61.53 110.531 -179.106 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.446 -0.575 . . . . 62.33 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -116.75 134.21 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.019 0.438 . . . . 72.12 110.472 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.0 143.71 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.818 -0.628 . . . . 64.54 111.652 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -85.7 7.75 22.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.529 -0.759 . . . . 74.53 110.877 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' NZ ' ' CE2' ' A' ' 6' ' ' PHE . 25.8 pttm -76.62 0.31 20.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 65.43 112.003 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' CE2' ' NZ ' ' A' ' 5' ' ' LYS . 99.4 m-85 -102.85 136.81 41.98 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.17 0.509 . . . . 73.01 110.336 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.63 142.92 31.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.575 -0.739 . . . . 63.22 110.873 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -57.88 -35.75 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 72.4 112.027 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.1 -35.96 80.28 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.309 -0.956 . . . . 72.23 110.582 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.01 -37.73 80.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 74.4 110.303 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.34 -37.98 70.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 62.12 111.616 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.1 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.52 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.13 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.33 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.21 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.12 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.55 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.23 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.01 112.155 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.01 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.41 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.44 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.45 109.818 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.01 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.43 111.115 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.02 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.34 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.22 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.33 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.33 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.52 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.44 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.11 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.02 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.33 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.23 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.14 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.4 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.1 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.21 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.23 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.54 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.41 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.05 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.31 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.01 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.31 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.32 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.34 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.55 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.08 -39.99 79.96 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.9 90.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.029 -0.668 . . . . 75.4 111.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.33 -36.16 79.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.6 -0.727 . . . . 75.44 111.736 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -70.81 134.26 86.01 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.168 -0.469 . . . . 70.24 111.483 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.9 -23.57 51.92 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 CA-C-N 120.239 1.121 . . . . 74.14 109.962 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.994 -1.003 . . . . 61.53 110.72 -179.513 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.766 -0.457 . . . . 62.33 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 4' ' ' ASN . 13.2 p -131.71 143.8 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.008 -0.542 . . . . 72.12 110.214 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.09 -36.14 67.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.41 . . . . 64.54 111.893 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' H ' HG22 ' A' ' 2' ' ' VAL . 40.5 m-20 -53.48 -32.55 50.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.021 -0.733 . . . . 74.53 109.021 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -64.35 141.02 58.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.895 -1.048 . . . . 65.43 109.755 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 134.22 45.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.303 0.573 . . . . 73.01 110.476 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -102.18 151.23 22.45 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.151 -0.931 . . . . 63.22 111.195 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -57.33 -35.65 70.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.08 -0.964 . . . . 72.4 110.435 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.3 -31.92 73.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 119.923 -0.711 . . . . 72.23 110.7 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.29 -38.32 79.9 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.513 0.673 . . . . 74.4 110.507 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.91 -37.84 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.508 -0.769 . . . . 62.12 109.635 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.1 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 46' ' ' LEU . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.52 110.248 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.13 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.33 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.21 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.12 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.55 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.23 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.01 112.066 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.01 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.565 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.41 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.44 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.474 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.45 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.43 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.34 111.647 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.22 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.33 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.33 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.52 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.44 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.11 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.02 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.23 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.14 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.4 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.1 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.21 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.23 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.54 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 13' ' ' ALA . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.41 110.192 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.05 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.31 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.01 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.31 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.32 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.34 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.55 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.41 -40.69 91.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.94 74.06 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.943 1.46 . . . . 75.4 114.943 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -61.27 -41.39 96.85 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.745 -0.782 . . . . 75.44 112.101 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -134.48 76.43 61.66 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.616 -0.72 . . . . 70.24 110.548 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.14 140.11 86.58 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 CA-C-N 121.126 1.438 . . . . 74.14 110.709 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.978 -1.01 . . . . 61.53 110.594 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.827 -0.434 . . . . 62.33 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -131.5 142.97 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.451 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 64.54 110.718 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -85.34 5.19 31.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 74.53 110.517 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -73.21 135.62 44.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 65.43 110.365 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -108.88 138.97 44.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.089 0.471 . . . . 73.01 110.951 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.43 127.92 46.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.674 -0.693 . . . . 63.22 109.575 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -57.24 -35.11 69.31 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.549 -0.46 . . . . 72.4 110.397 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.34 -34.85 77.45 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.13 -0.628 . . . . 72.23 110.235 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.31 -37.18 74.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.322 0.582 . . . . 74.4 110.707 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -55.08 -37.08 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.409 -0.814 . . . . 62.12 111.278 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.1 110.512 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.52 110.599 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.13 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.33 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.12 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.55 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.23 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.01 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.01 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.41 112.282 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.44 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.45 109.681 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.01 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.43 110.725 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.02 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.34 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.22 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.33 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.33 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.52 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.44 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.11 111.79 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.02 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.33 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.23 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.14 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.4 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.1 110.414 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.21 109.65 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.972 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.54 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 13' ' ' ALA . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.41 111.662 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.05 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.31 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.01 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.31 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.32 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.34 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.55 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -59.59 -39.6 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.96 90.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 114.484 1.29 . . . . 75.4 114.484 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -61.12 -41.24 96.34 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.18 -1.008 . . . . 75.44 112.013 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -134.12 79.9 55.05 Favored Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 116.158 -0.473 . . . . 70.24 109.977 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.11 138.73 62.9 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 CA-C-N 119.358 0.807 . . . . 74.14 111.508 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 61.53 110.484 -179.733 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.263 -0.643 . . . . 62.33 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -131.44 142.82 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 116.385 -0.37 . . . . 72.12 110.084 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 51.1 p30 -73.14 138.51 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.46 0.648 . . . . 64.54 111.182 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -56.64 -35.1 67.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 74.53 111.127 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -94.7 142.08 27.87 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.982 0.42 . . . . 65.43 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -120.32 153.77 35.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.901 -0.59 . . . . 73.01 110.123 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.56 134.32 47.94 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.365 -0.606 . . . . 63.22 109.365 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.32 -36.42 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.565 -0.454 . . . . 72.4 111.256 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -63.07 -35.21 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.136 -0.626 . . . . 72.23 110.756 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -58.38 -38.13 76.66 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 74.4 110.579 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -57.79 -38.65 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 62.12 110.877 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.1 110.744 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.52 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.13 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.33 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.21 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.12 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.55 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.23 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 23' ' ' LEU . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.01 111.465 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.01 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.698 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.41 113.015 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 20' ' ' LEU . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.44 111.63 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.45 109.164 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.01 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.122 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.02 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.34 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.22 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.33 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.33 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.52 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.44 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.11 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.02 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.33 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.23 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.14 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.4 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.1 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.21 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.23 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.54 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.41 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.05 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.31 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.01 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.31 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.32 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.34 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.55 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.11 -39.24 85.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.5 92.02 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 113.866 1.061 . . . . 75.4 113.866 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' OE1' HD23 ' A' ' 23' ' ' LEU . 62.0 tt0 -61.09 -37.4 82.61 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.353 -0.939 . . . . 75.44 111.36 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.698 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -66.95 147.21 99.14 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.699 -0.682 . . . . 70.24 111.683 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.4 -23.04 68.63 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.053 1.835 . . . . 74.14 111.022 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.048 -0.977 . . . . 61.53 110.791 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 51.1 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.867 -0.42 . . . . 62.33 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.3 m -70.04 -29.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.422 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.15 141.95 55.88 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.952 0.882 . . . . 64.54 110.537 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -87.05 6.6 31.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.874 -1.512 . . . . 74.53 111.358 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -75.61 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.569 -0.53 . . . . 65.43 109.569 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.81 163.51 29.65 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.993 0.425 . . . . 73.01 111.04 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -102.59 138.02 40.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.899 -0.591 . . . . 63.22 110.208 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -57.71 -37.86 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.014 -0.539 . . . . 72.4 110.461 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -62.54 -34.47 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.401 -0.52 . . . . 72.23 110.355 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.03 -38.93 77.16 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.732 -0.387 . . . . 74.4 110.984 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.69 -38.83 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.278 -0.569 . . . . 62.12 110.324 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.1 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.52 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.13 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.33 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.21 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.12 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.55 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.23 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.01 113.076 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.01 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.3 m120 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.41 113.049 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.44 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.45 110.521 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.01 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HG2' HD12 ' A' ' 23' ' ' LEU . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.43 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.02 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.34 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.22 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.33 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.33 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.52 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.44 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.11 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.02 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.33 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.23 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.14 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.4 113.352 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.1 109.548 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.21 109.66 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.23 110.757 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.54 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 46' ' ' LEU . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.41 111.401 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.05 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.31 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.01 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.31 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.32 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.34 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.55 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.31 -39.75 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.15 79.74 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 113.733 1.012 . . . . 75.4 113.733 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.0 tt0 -61.33 -37.76 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.024 -0.67 . . . . 75.44 111.43 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . . . -126.09 81.11 67.11 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.525 -0.762 . . . . 70.24 112.22 -177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.49 -17.76 13.39 Favored 'Trans proline' 0 C--N 1.297 -2.18 0 C-N-CA 121.818 1.679 . . . . 74.14 110.017 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.989 . . . . 61.53 111.553 -179.669 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.365 -0.605 . . . . 62.33 109.365 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.73 -39.72 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.819 -0.628 . . . . 72.12 110.585 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -67.98 140.75 56.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.982 0.42 . . . . 64.54 110.616 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -86.59 5.31 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.875 -0.602 . . . . 74.53 111.327 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -90.48 139.36 30.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.245 0.545 . . . . 65.43 111.557 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -140.43 164.34 30.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.332 -0.849 . . . . 73.01 109.818 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -99.65 134.1 43.02 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.491 -0.559 . . . . 63.22 109.491 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -58.7 -37.62 76.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.144 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.16 -36.84 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.014 -0.674 . . . . 72.23 110.451 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -59.34 -38.41 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 74.4 111.639 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -57.59 -39.38 76.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 62.12 112.582 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.1 109.874 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' ' 46' ' ' LEU . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.52 111.667 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.33 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.21 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.12 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.55 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.23 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 23' ' ' LEU . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.01 111.565 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.01 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.41 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.44 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.45 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.01 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.43 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.02 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.34 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.22 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.33 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.33 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.52 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.44 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.11 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.02 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.33 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.23 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.14 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.4 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.1 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.21 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.23 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.54 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' HB1' ' A' ' 13' ' ' ALA . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.41 112.019 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.05 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.31 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.01 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.31 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.32 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.34 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HA ' HD11 ' A' ' 23' ' ' LEU . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.55 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.13 -40.1 88.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.43 82.67 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.321 1.6 . . . . 75.4 115.321 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -62.29 -39.56 93.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.126 -1.03 . . . . 75.44 112.285 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -137.48 77.9 39.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.81 -0.632 . . . . 70.24 110.389 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.33 138.89 73.54 Favored 'Trans proline' 0 C--N 1.295 -2.288 0 CA-C-N 119.894 0.998 . . . . 74.14 110.947 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.911 -1.042 . . . . 61.53 110.482 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.328 -0.619 . . . . 62.33 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.05 -34.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.507 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.32 142.41 56.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.113 0.959 . . . . 64.54 111.056 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.525 ' O ' ' CE2' ' A' ' 6' ' ' PHE . 43.8 p-10 -86.99 7.73 26.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.488 -1.687 . . . . 74.53 111.016 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.34 136.47 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.692 -0.686 . . . . 65.43 110.336 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 95.9 m-85 -118.01 154.7 31.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.537 -0.912 . . . . 73.01 108.537 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -76.03 166.94 22.75 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.449 -0.9 . . . . 63.22 109.7 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -62.05 -40.01 94.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.528 0.936 . . . . 72.4 113.528 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.79 -37.81 88.88 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.247 -0.981 . . . . 72.23 112.434 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -61.76 -38.12 86.82 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.748 0.647 . . . . 74.4 112.748 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.94 -39.34 74.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.291 -0.564 . . . . 62.12 111.53 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.1 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.52 112.132 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.13 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.33 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.21 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.12 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.55 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.23 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.01 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.01 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.734 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.41 113.093 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.44 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.45 110.66 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.01 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.43 110.35 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.02 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.34 112.552 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.22 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.33 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.33 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.52 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.44 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.11 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.02 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.33 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.23 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.14 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.4 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.1 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.21 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.23 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.54 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' ALA . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.41 112.196 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.05 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.31 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.01 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.31 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.32 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.34 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.55 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.48 -38.86 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.3 95.33 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.419 0.896 . . . . 75.4 113.419 -176.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 46.2 tt0 -61.02 -37.83 83.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.961 -1.096 . . . . 75.44 109.472 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.734 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -125.98 80.58 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 114.698 -1.137 . . . . 70.24 110.143 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' LYS . 52.8 Cg_exo -54.4 -18.56 15.0 Favored 'Trans proline' 0 C--N 1.302 -1.918 0 C-N-CA 122.231 1.954 . . . . 74.14 111.491 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' PRO . 98.8 mttt . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 118.016 -0.993 . . . . 61.53 112.144 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.718 -0.475 . . . . 62.33 109.718 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 t 38.42 90.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.126 0.489 . . . . 72.12 110.639 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.12 144.81 55.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.354 -0.839 . . . . 64.54 112.462 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -54.99 -31.74 61.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.545 -0.909 . . . . 74.53 108.545 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.63 161.68 30.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.612 -1.176 . . . . 65.43 109.627 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.01 138.31 36.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 73.01 110.049 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -88.09 146.27 25.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.52 -0.764 . . . . 63.22 110.308 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -57.27 -38.98 74.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 72.4 111.824 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.01 -37.4 79.59 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.113 -1.035 . . . . 72.23 110.169 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -39.5 85.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.382 -0.527 . . . . 74.4 110.971 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.79 -38.94 79.69 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.713 -0.676 . . . . 62.12 110.97 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.1 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.52 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.13 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.33 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.21 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.12 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.55 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.23 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.01 112.982 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.01 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.452 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 9.7 m120 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.41 114.021 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.44 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.45 110.173 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.01 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.43 110.714 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.02 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.34 111.418 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.22 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.33 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.33 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.52 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.44 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.11 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.02 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.33 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.23 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.14 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.4 113.021 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.1 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.21 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.23 110.906 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.54 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.41 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.05 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.31 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.01 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.31 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.32 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.34 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.55 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -63.18 -42.61 99.39 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.12 49.82 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.581 0.956 . . . . 75.4 113.581 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.73 -38.94 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.423 0.63 . . . . 75.44 110.783 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . . . -128.25 80.3 72.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 114.861 -1.063 . . . . 70.24 111.456 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.14 -22.14 24.52 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 121.591 1.527 . . . . 74.14 109.844 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.963 -1.018 . . . . 61.53 111.144 178.477 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.322 -0.622 . . . . 62.33 109.322 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.78 135.31 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.389 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.17 114.44 21.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.121 0.486 . . . . 64.54 110.001 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 7' ' ' ASN . 79.8 m-20 -89.71 4.36 49.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.395 1.257 . . . . 74.53 114.395 -178.489 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -59.15 -36.53 75.42 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.592 -1.243 . . . . 65.43 112.702 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 9' ' ' GLU . 97.7 m-85 -60.96 -40.16 92.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 120.05 -0.66 . . . . 73.01 112.689 -178.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' PHE . 65.2 m-20 15.99 -102.87 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.279 1.215 . . . . 63.22 114.279 179.109 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.65 -39.68 81.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 118.73 -1.188 . . . . 72.4 109.615 -177.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 6' ' ' PHE . 47.0 tp10 -62.33 -37.4 85.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.455 -0.898 . . . . 72.23 108.706 176.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.96 -40.56 89.47 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.378 1.085 . . . . 74.4 109.367 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -59.0 -39.38 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.189 -1.369 . . . . 62.12 111.223 -179.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.64 HD22 ' C ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.1 111.009 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.52 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.13 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.33 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.21 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.12 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.55 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.23 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.01 112.785 -177.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.01 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.41 112.488 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.44 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.45 108.56 178.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.01 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.43 111.232 178.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.02 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 33' ' ' GLN . 34.3 t30 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.34 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.22 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.33 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.33 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' ' ND2' ' A' ' 29' ' ' ASN . 26.1 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.52 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.44 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.11 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.02 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.33 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.23 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.14 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.4 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.1 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.21 110.075 178.307 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.23 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 13' ' ' ALA . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.41 110.969 -177.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.05 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.31 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.01 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.31 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.32 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.34 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.55 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.59 -40.22 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.9 77.4 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.483 -0.887 . . . . 75.4 112.533 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.32 -35.49 79.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.781 0.801 . . . . 75.44 110.023 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.68 83.88 64.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 114.235 -1.348 . . . . 70.24 111.485 -177.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.92 -19.69 11.76 Favored 'Trans proline' 0 C--N 1.301 -1.97 0 C-N-CA 121.231 1.288 . . . . 74.14 108.968 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--O 1.221 -0.443 0 CA-C-N 114.823 -1.08 . . . . 61.53 111.337 177.998 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.431 -0.581 . . . . 62.33 109.431 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.66 143.12 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.106 -0.497 . . . . 72.12 110.43 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.77 140.86 56.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.177 0.989 . . . . 64.54 110.991 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -88.52 6.6 37.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.633 -1.621 . . . . 74.53 112.384 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.33 -35.38 71.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 65.43 110.434 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.06 155.5 32.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.855 -0.611 . . . . 73.01 110.44 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -100.78 137.57 39.0 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.346 -0.613 . . . . 63.22 109.346 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -58.15 -36.4 72.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 72.4 111.264 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.35 -32.65 73.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.616 -0.833 . . . . 72.23 111.184 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -59.07 -38.39 79.3 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.593 -0.443 . . . . 74.4 110.494 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.07 -38.91 77.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 62.12 110.65 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.1 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.52 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.13 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.33 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.21 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.12 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.55 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.23 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' A' ' 28' ' ' ARG . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.01 111.338 -178.062 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.01 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.41 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.44 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.45 111.224 -178.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.01 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 HD22 ' A' ' 23' ' ' LEU . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.693 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.02 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.34 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.22 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.33 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.33 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.52 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.44 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.11 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.02 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.33 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.23 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.14 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.4 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.1 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.21 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.23 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.54 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.41 110.886 -177.736 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.05 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.31 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.01 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.31 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.32 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.34 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.55 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.44 -38.25 83.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.29 83.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.644 0.979 . . . . 75.4 113.644 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -57.57 -39.15 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.828 -0.749 . . . . 75.44 111.209 -178.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.22 60.8 9.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.425 . . . . 70.24 111.425 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.57 -23.83 72.7 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.281 1.988 . . . . 74.14 111.744 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.037 -0.982 . . . . 61.53 110.679 -178.828 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.381 -0.6 . . . . 62.33 109.381 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.54 -39.9 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.208 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 3' ' ' ASP . 50.4 p30 -152.36 167.17 29.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.915 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 4' ' ' ASN . 28.9 p30 -88.55 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.66 . . . . 74.53 111.787 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -58.69 -35.36 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.515 -0.474 . . . . 65.43 111.079 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.35 132.2 53.4 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.671 -0.24 . . . . 73.01 110.733 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -144.86 169.76 17.43 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.048 0.451 . . . . 63.22 110.62 177.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -59.09 -37.27 76.72 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.607 -0.437 . . . . 72.4 111.341 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.47 -34.94 78.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.496 -0.482 . . . . 72.23 111.52 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -58.3 -38.37 76.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.883 -0.727 . . . . 74.4 109.981 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -59.54 -36.75 76.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.496 -0.882 . . . . 62.12 110.073 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.1 111.098 179.551 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.52 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.13 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.33 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.21 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.12 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.55 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.23 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.01 111.721 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.01 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.41 113.039 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.44 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.45 109.213 178.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.01 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.43 110.39 178.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.02 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.34 110.581 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.22 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.33 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.33 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.52 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.44 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.11 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.02 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.33 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.23 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.14 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.4 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.1 109.405 -177.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.21 110.314 177.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.23 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.54 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.41 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.05 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.31 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.01 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.31 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.32 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.34 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 23' ' ' LEU . 21.8 t30 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.55 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.1 -39.69 83.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.03 89.32 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.749 -0.781 . . . . 75.4 112.572 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 61.6 tt0 -61.05 -37.75 83.74 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.348 -0.541 . . . . 75.44 111.198 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -67.87 147.37 98.53 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.436 -0.802 . . . . 70.24 111.067 -178.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.4 -23.09 61.89 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.683 1.589 . . . . 74.14 110.688 179.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 pttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 61.53 110.747 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.305 -0.628 . . . . 62.33 109.305 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 4' ' ' ASN . 42.9 t -116.79 134.7 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.25 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.37 -37.56 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.884 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' H ' HG12 ' A' ' 2' ' ' VAL . 77.8 m-20 58.75 43.42 18.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.458 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.35 -35.84 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.391 . . . . 65.43 111.309 -179.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.01 136.48 49.2 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.91 0.385 . . . . 73.01 111.195 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -108.06 139.83 42.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.946 -0.57 . . . . 63.22 109.86 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -57.31 -38.02 73.37 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.224 -0.59 . . . . 72.4 109.74 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.56 -33.97 76.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 72.23 110.71 178.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.09 -38.42 73.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.322 -0.399 . . . . 74.4 111.769 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.11 -37.02 76.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.378 -0.929 . . . . 62.12 110.004 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.1 109.992 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.52 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.13 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.33 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.21 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.12 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.55 112.046 178.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.23 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 23' ' ' LEU . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.01 111.709 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.01 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.41 113.043 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.44 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.45 109.902 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.01 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.43 111.058 177.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.02 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.34 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.22 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.33 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.33 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.52 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.44 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.11 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.02 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.33 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.23 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.14 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.4 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.1 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.21 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.54 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.41 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.05 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.31 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.01 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.31 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.32 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 22.9 t30 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.55 112.344 -178.175 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 57' ' ' ALA . 21.6 t70 -59.54 -39.94 85.59 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.84 86.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.157 0.799 . . . . 75.4 113.157 -179.193 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -58.9 -37.41 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.386 -0.37 . . . . 75.44 111.848 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -122.39 162.7 36.55 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.597 -178.205 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.8 Cg_endo -57.17 -23.58 54.15 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.558 2.172 . . . . 74.14 111.513 179.326 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' OXT' ' OD1' ' A' ' 54' ' ' ASP . 26.5 tptp . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.995 -1.003 . . . . 61.53 109.975 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.493 -0.558 . . . . 62.33 109.493 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 m -69.96 -28.54 36.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 72.12 110.054 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.41 119.47 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.941 -0.572 . . . . 64.54 110.309 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -85.57 5.12 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 74.53 110.466 -179.095 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -73.9 138.72 44.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.333 -0.848 . . . . 65.43 110.813 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.51 139.46 40.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.129 -0.693 . . . . 73.01 109.129 -179.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -70.81 160.75 32.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.65 0.738 . . . . 63.22 112.017 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -58.74 -38.18 77.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.574 -0.739 . . . . 72.4 110.974 -178.016 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.55 -36.69 85.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 119.331 -0.948 . . . . 72.23 109.592 178.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.76 -37.21 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.584 -0.735 . . . . 74.4 111.707 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.98 -37.23 81.73 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.12 110.151 179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.1 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.52 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.13 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.33 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.21 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.12 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.55 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.23 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.01 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.01 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 8.8 m120 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.41 113.353 -178.426 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.44 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.566 ' C ' HH12 ' A' ' 28' ' ' ARG . 42.7 p-10 -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.45 109.286 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.01 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.43 111.754 178.485 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.566 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.02 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.34 110.886 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.22 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.33 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.33 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.52 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.44 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.11 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.02 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.33 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.23 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.14 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.4 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.1 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.21 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.23 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.54 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.41 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.05 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.31 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.01 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.31 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.32 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.34 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.55 111.56 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.53 -39.27 87.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.65 -58.36 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.777 1.399 . . . . 75.4 114.777 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.76 -40.36 92.2 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.872 -0.731 . . . . 75.44 112.376 -178.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . . . -132.26 77.4 70.82 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 115.841 -0.618 . . . . 70.24 111.245 -179.064 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.04 141.2 79.74 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 C-N-CA 120.745 0.963 . . . . 74.14 111.127 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 61.53 110.656 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 23.1 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.332 -0.618 . . . . 62.33 109.332 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 89.9 t -60.95 -39.22 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 72.12 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 57.76 47.71 15.06 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.158 0.799 . . . . 64.54 113.158 179.093 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -54.21 -35.32 62.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.061 -0.348 . . . . 74.53 110.061 179.164 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -95.24 142.42 27.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.29 -0.414 . . . . 65.43 109.924 178.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.39 152.11 37.37 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.943 0.401 . . . . 73.01 110.947 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -103.58 125.19 49.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.324 -0.621 . . . . 63.22 109.324 178.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -57.42 -35.52 70.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.44 -0.504 . . . . 72.4 110.248 -178.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -35.1 78.66 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.162 -0.615 . . . . 72.23 110.794 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.59 -38.27 77.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.96 0.41 . . . . 74.4 110.549 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.87 -38.27 72.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 62.12 110.665 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.1 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.52 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.13 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.33 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.21 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.12 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.55 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.23 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.01 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.01 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.41 113.244 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.44 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.45 109.326 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.01 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.43 110.879 177.711 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.02 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.34 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.22 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.33 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.33 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.52 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.44 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.11 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.02 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.33 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.23 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.14 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.4 113.742 -179.251 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.1 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.21 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.23 110.915 178.79 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.54 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.05 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.31 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.01 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.31 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.32 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.34 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.55 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.11 -39.81 83.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.1 89.25 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 119.68 -0.808 . . . . 75.4 112.269 -178.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.02 -37.85 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.223 0.535 . . . . 75.44 110.689 179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -68.82 148.16 97.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.312 -0.858 . . . . 70.24 111.052 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -22.52 56.46 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.577 1.518 . . . . 74.14 110.588 179.075 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HZ3' ' HB1' ' A' ' 57' ' ' ALA . 30.5 mtmm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.036 -0.983 . . . . 61.53 110.549 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.494 -0.558 . . . . 62.33 109.494 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.58 134.9 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 72.12 109.973 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.72 139.61 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 64.54 110.458 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -86.87 4.89 39.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 74.53 110.285 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -58.02 -37.13 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 65.43 111.461 -178.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -118.53 152.87 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.236 0.541 . . . . 73.01 111.937 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' OD1' ' OE1' ' A' ' 9' ' ' GLU . 45.1 t-20 -100.89 130.08 46.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 177.455 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -57.23 -36.95 71.54 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.658 -0.817 . . . . 72.4 111.451 -176.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE1' ' OD1' ' A' ' 7' ' ' ASN . 59.7 mp0 -64.31 -36.54 84.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 118.774 -1.17 . . . . 72.23 110.916 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.62 -37.22 80.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.78 -0.645 . . . . 74.4 112.5 179.378 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -55.55 -38.63 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 62.12 112.385 -176.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.1 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.52 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.13 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.33 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.21 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.12 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.55 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.23 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.01 112.638 -177.315 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.01 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.41 112.66 -179.282 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.44 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.45 108.636 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.01 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.43 110.876 178.38 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.02 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.34 111.755 179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.22 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.33 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.33 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.52 111.19 -178.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.44 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.11 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.02 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.33 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.23 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.14 111.554 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.4 113.032 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.1 109.64 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.21 109.837 177.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.23 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.54 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.41 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.05 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.31 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.01 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.31 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.32 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.34 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.55 112.737 -178.657 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.26 -40.54 82.06 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.11 88.75 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.875 -0.73 . . . . 75.4 110.91 179.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -35.09 76.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.986 -1.006 . . . . 75.44 111.429 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 151.8 94.09 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 70.24 110.846 -178.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.86 -22.51 30.2 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.13 1.22 . . . . 74.14 110.672 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.946 -1.026 . . . . 61.53 111.022 179.943 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.455 -0.572 . . . . 62.33 109.455 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 m -128.81 158.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.586 -0.734 . . . . 72.12 109.897 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 3' ' ' ASP . 50.4 p30 -149.16 170.73 17.76 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.298 0.571 . . . . 64.54 111.614 -179.536 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -86.91 9.18 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.25 -0.887 . . . . 74.53 110.824 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -57.02 -37.68 72.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.702 -0.681 . . . . 65.43 112.169 -178.01 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -102.14 127.78 48.92 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.768 0.655 . . . . 73.01 112.768 -179.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -120.26 132.17 55.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.789 -1.096 . . . . 63.22 108.244 176.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -57.2 -36.18 70.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.142 -1.023 . . . . 72.4 111.199 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.91 -34.52 74.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.839 -0.744 . . . . 72.23 110.041 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.85 -36.57 70.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.876 -0.602 . . . . 74.4 111.156 -179.104 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -54.62 -38.35 66.71 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.011 -1.076 . . . . 62.12 110.496 -178.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.1 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.52 110.415 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.33 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.21 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.12 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.55 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.23 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.01 112.95 -177.535 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.01 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 9.7 m120 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.41 112.357 -178.679 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.44 112.557 -176.221 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.45 108.5 177.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.01 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.43 111.656 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.02 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.34 111.839 178.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.33 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.33 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.52 111.675 -178.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.44 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.11 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.02 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.33 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.23 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.14 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.4 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.1 110.241 -177.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.21 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.23 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.54 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 13' ' ' ALA . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.41 111.485 -178.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.05 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.31 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.01 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.31 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.32 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.34 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.55 111.933 -179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.6 -40.37 91.53 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -50.5 52.32 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 119.26 -0.976 . . . . 75.4 112.595 -177.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 23' ' ' LEU . 94.2 mt-30 -62.59 -34.29 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 75.44 111.531 178.508 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.417 ' CB ' ' OD1' ' A' ' 22' ' ' ASN . . . -124.31 80.97 58.97 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 115.37 -0.832 . . . . 70.24 111.588 -177.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.03 -19.91 28.22 Favored 'Trans proline' 0 C--N 1.302 -1.9 0 C-N-CA 122.522 2.148 . . . . 74.14 112.298 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.947 -1.025 . . . . 61.53 110.608 -178.632 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.392 -0.596 . . . . 62.33 109.392 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.66 136.41 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.938 -0.574 . . . . 72.12 109.795 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -138.27 -179.2 5.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.968 0.413 . . . . 64.54 111.501 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 61.08 41.49 13.71 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 107.146 -1.427 . . . . 74.53 107.146 -176.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.95 -34.78 72.16 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.043 -1.889 . . . . 65.43 110.255 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -135.02 162.61 31.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.531 -0.759 . . . . 73.01 109.359 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -101.6 131.57 47.74 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.414 -0.587 . . . . 63.22 109.414 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -56.31 -37.37 69.82 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.373 -0.531 . . . . 72.4 110.929 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.78 -33.22 74.74 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.479 -0.888 . . . . 72.23 109.506 178.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -56.27 -37.18 69.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.491 -0.322 . . . . 74.4 110.599 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.79 -38.04 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.823 -0.751 . . . . 62.12 109.217 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.52 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.13 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.33 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.21 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.12 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.55 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.23 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' LEU . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.01 112.88 -176.474 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.01 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.485 HD21 ' HB2' ' A' ' 57' ' ' ALA . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.41 113.152 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.44 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.45 109.055 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.01 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.43 110.997 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.02 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.34 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.33 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.33 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.52 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.44 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.11 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.23 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.14 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.4 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.1 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.21 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.23 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.54 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.41 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.05 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.31 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.01 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.31 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.32 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 23' ' ' LEU . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.34 110.596 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.55 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.46 -39.66 80.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.91 85.89 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.483 -0.887 . . . . 75.4 112.233 -179.032 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.35 -35.51 79.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.164 0.507 . . . . 75.44 111.723 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 22' ' ' ASN . . . -67.62 147.52 98.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.602 -0.726 . . . . 70.24 110.829 -178.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.88 -22.68 55.38 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.609 1.54 . . . . 74.14 110.689 179.396 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.992 -1.004 . . . . 61.53 110.62 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.735 0.302 . . . . 62.12 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.1 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.52 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.13 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.33 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.525 ' OE1' HD11 ' A' ' 46' ' ' LEU . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.21 111.153 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.12 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.55 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.23 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.01 111.869 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.01 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.41 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 20' ' ' LEU . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.44 113.014 -175.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.586 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.45 109.27 178.181 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.01 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG3' HD21 ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.43 111.435 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.02 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.22 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.33 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.33 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.52 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.44 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.11 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.33 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.23 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.14 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.4 113.657 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.1 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.21 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.8 m-20 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.23 110.415 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.54 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD11 ' OE1' ' A' ' 16' ' ' GLU . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.41 110.947 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.05 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.31 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.01 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.31 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.32 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.34 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.55 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.183 0.516 . . . . 62.12 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.1 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.52 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.13 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.33 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.21 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.12 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.55 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.23 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.01 112.493 -177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.01 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.41 113.231 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.44 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.575 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.45 110.094 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.01 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.458 ' HG3' HD21 ' A' ' 24' ' ' ASN . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.43 111.751 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.02 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.34 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.22 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.33 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.33 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.52 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.44 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.11 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.02 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.33 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.23 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.14 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.4 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.1 109.841 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.21 110.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.23 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.54 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.41 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.05 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.31 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.01 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.31 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.32 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.34 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.9 t-20 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.55 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.532 0.206 . . . . 62.12 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.1 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.52 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.13 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.33 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.21 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.12 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.55 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.23 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 23' ' ' LEU . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.01 111.919 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.01 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.41 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 20' ' ' LEU . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.44 112.414 -176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.718 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.45 109.467 178.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.01 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.43 110.529 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.02 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.34 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.22 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.33 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.33 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.52 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.44 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.11 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.02 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.33 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.23 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.14 111.472 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.4 113.499 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.1 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.21 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.402 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.2 m-20 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.23 110.951 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.54 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.41 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.05 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.31 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.01 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.31 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.32 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.34 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.55 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 111.959 0.355 . . . . 62.12 111.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.1 110.511 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.52 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.13 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.33 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.21 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.12 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.55 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.23 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.01 113.005 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.01 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.41 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.44 112.121 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.596 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.45 108.981 179.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.01 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.43 111.224 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.02 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.34 110.893 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.22 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.33 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.33 112.67 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.52 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.44 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.11 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.33 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.23 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.14 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.4 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.1 109.479 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.21 109.541 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.23 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.54 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.41 111.807 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.05 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.31 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.01 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.31 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.32 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.34 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.42 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.8 t-20 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.55 111.412 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.754 0.311 . . . . 62.12 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.1 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.52 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.13 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.33 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.21 111.705 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.12 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.55 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.23 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.01 113.325 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.01 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.41 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.44 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.45 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.01 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' A' ' 52' ' ' LEU . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.43 110.247 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.02 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.507 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.0 t-20 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.34 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.22 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.33 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.33 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.9 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.52 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.44 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.11 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.02 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.33 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.23 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.14 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.4 113.677 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.1 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.21 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.5 m-20 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.23 110.905 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.54 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.519 HD21 ' OE1' ' A' ' 16' ' ' GLU . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.41 111.005 -178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.05 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.31 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.01 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.31 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 27' ' ' GLN . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.34 111.277 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.55 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.906 0.384 . . . . 62.12 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.1 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.52 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.13 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.33 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.21 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.12 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.55 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.23 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 23' ' ' LEU . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.01 112.718 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.01 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.41 113.293 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.44 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.572 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.45 110.016 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.01 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HD21 ' A' ' 24' ' ' ASN . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.043 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.02 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.0 t-20 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.34 113.029 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.22 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.33 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.33 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.52 112.369 -178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.11 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.02 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.33 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.23 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.14 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.4 113.513 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.1 109.543 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.21 109.988 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.401 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.5 m-20 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.23 110.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.54 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.41 111.154 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.05 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.31 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.01 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.31 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.32 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.34 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.559 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.6 t-20 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.55 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.779 0.323 . . . . 62.12 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.1 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.52 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.13 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.33 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.21 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.12 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.55 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.23 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 23' ' ' LEU . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.01 111.501 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.01 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.41 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 20' ' ' LEU . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.44 112.232 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.575 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.45 108.686 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.01 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.524 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.43 110.94 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.02 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.34 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.22 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.33 111.505 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.33 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.52 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.44 111.038 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.11 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.33 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.23 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.14 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.4 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.1 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.21 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.23 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.54 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.41 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.05 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.31 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.01 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.31 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.32 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.34 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.55 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 111.106 0.039 . . . . 62.12 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.1 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.52 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.13 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 18' ' ' LEU . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.33 111.951 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.21 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.12 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' CE3' ' A' ' 15' ' ' TRP . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.55 111.748 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.23 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 23' ' ' LEU . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.01 111.764 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.01 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.41 113.254 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 20' ' ' LEU . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.44 112.378 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.605 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.45 109.487 178.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.01 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 24' ' ' ASN . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.43 111.336 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.02 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.34 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.22 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.33 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.33 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.52 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.44 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.11 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.02 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.33 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.23 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.14 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.4 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.1 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.21 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.23 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.54 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.05 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.31 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.01 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.31 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.32 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.34 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.55 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.23 0.538 . . . . 62.12 109.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.1 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.52 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.13 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.33 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.21 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.12 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.55 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.23 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 23' ' ' LEU . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.01 112.444 -177.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.01 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.946 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.671 ' CD1' HD22 ' A' ' 53' ' ' ASN . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.44 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.573 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.45 108.916 178.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.01 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.43 111.555 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.02 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.7 t-20 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.34 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.22 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.33 112.722 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.33 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.4 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.52 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.44 111.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.11 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.02 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.33 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.23 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.14 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.4 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.1 112.182 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.21 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.23 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.54 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.41 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.05 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.31 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.01 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.31 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.32 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.34 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.671 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.9 t-20 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.55 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.86 0.362 . . . . 62.12 110.553 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.589 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.52 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.13 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.33 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.21 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.12 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.55 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.23 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.01 111.633 -178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.01 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.41 113.14 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.44 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.593 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.45 109.477 178.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.01 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 24' ' ' ASN . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.43 110.761 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.02 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.34 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.22 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.33 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.33 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.52 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.44 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.11 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.02 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.33 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.23 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.14 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.4 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.1 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.21 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.23 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.54 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.41 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.05 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.31 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.01 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.31 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.32 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.34 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 20.1 t-20 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.55 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.521 -0.151 0 N-CA-C 111.725 0.268 . . . . 62.12 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.1 110.174 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.52 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.13 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.408 ' CE3' HD12 ' A' ' 18' ' ' LEU . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.33 113.009 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.21 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.12 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CE3' ' A' ' 15' ' ' TRP . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.55 111.69 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.23 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.01 112.587 -176.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.01 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.41 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.44 112.648 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.45 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.01 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.43 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.02 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.34 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.22 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.33 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.33 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.52 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.44 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.11 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.33 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.23 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.14 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.4 113.751 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.1 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.21 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.1 m-20 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.23 110.261 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.54 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.41 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.05 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.31 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.01 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.31 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.32 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.34 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.55 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.667 0.247 . . . . 62.12 111.667 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.1 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.52 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.13 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.33 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.21 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.12 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.55 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.23 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.01 111.98 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.01 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.41 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.44 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.45 108.519 177.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.01 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.564 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.43 111.407 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.02 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.34 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.22 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.33 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.33 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.52 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.44 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.11 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.02 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.33 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.23 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.14 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.4 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.1 110.041 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.21 110.118 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.23 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.54 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.41 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.05 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.31 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.01 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.31 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.32 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.34 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.55 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 111.616 0.228 . . . . 62.12 111.616 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.1 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.52 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.13 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.33 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.21 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.12 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.55 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.23 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.01 112.155 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.01 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.41 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.44 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.582 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.45 109.818 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.01 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.43 111.115 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.02 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.34 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.22 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.33 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.33 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.52 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.44 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.11 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.02 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.33 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.23 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.14 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.4 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.1 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.21 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.23 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.54 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.41 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.05 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.31 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.01 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.31 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.32 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.34 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.55 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.635 -0.505 . . . . 62.12 109.635 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.1 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 46' ' ' LEU . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.52 110.248 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.13 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.33 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.21 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.12 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.55 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.23 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.01 112.066 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.01 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.41 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.44 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.474 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.45 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.43 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.34 111.647 179.456 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.22 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.33 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.33 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.52 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.44 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.11 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.02 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.23 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.14 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.4 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.1 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.21 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.23 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.54 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 13' ' ' ALA . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.41 110.192 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.05 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.31 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.01 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.31 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.32 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.34 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.55 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.365 0.126 . . . . 62.12 111.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.1 110.512 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.52 110.599 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.13 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.33 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.12 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.55 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.23 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.01 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.01 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.41 112.282 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.44 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.574 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.45 109.681 178.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.01 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' HD21 ' A' ' 24' ' ' ASN . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.43 110.725 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.02 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.34 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.22 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.33 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.33 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.52 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.44 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.11 111.79 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.02 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.33 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.23 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.14 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.4 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.1 110.414 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.21 109.65 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.3 m-20 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.972 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.54 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 13' ' ' ALA . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.41 111.662 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.05 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.31 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.01 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.31 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.32 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.34 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.55 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.747 0.308 . . . . 62.12 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.1 110.744 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.52 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.13 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.33 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.21 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.12 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.55 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.23 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 23' ' ' LEU . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.01 111.465 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.01 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.41 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 20' ' ' LEU . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.44 111.63 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.589 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.45 109.164 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.01 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.122 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.02 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.34 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.22 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.33 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.33 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.52 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.44 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.11 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.02 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.33 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.23 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.14 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.4 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.1 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.21 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.23 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.54 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.41 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.05 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.31 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.01 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.31 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.32 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.34 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.55 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.937 0.398 . . . . 62.12 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.1 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.52 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.13 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.33 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.21 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.12 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.55 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.23 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.01 113.076 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.01 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.41 113.049 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.44 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.45 110.521 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.01 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.579 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.43 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.02 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.34 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.22 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.33 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.33 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.52 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.44 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.11 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.02 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.33 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.23 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.14 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.4 113.352 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.1 109.548 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.21 109.66 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.23 110.757 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.54 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 46' ' ' LEU . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.41 111.401 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.05 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.31 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.01 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.31 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.32 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.34 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.55 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.582 0.586 . . . . 62.12 112.582 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.1 109.874 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' ' 46' ' ' LEU . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.52 111.667 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.33 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.21 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.12 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.55 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.23 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 23' ' ' LEU . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.01 111.565 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.01 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.41 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.44 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.469 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.45 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.01 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.43 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.02 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.34 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.22 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.33 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.33 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.52 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.44 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.11 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.02 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.33 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.23 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.14 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.4 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.1 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.21 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.23 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.54 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' HB1' ' A' ' 13' ' ' ALA . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.41 112.019 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.05 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.31 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.01 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.31 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.32 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.34 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HA ' HD11 ' A' ' 23' ' ' LEU . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.55 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.53 0.196 . . . . 62.12 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.1 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.52 112.132 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.13 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.33 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.21 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.12 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.55 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.23 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.01 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.01 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.41 113.093 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.44 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.553 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.45 110.66 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.01 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.43 110.35 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.02 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.34 112.552 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.22 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.33 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.33 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.52 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.44 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.11 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.02 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.33 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.23 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.14 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.4 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.1 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.21 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.23 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.54 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' ALA . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.41 112.196 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.05 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.31 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.01 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.31 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.32 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.34 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.55 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.882 0.372 . . . . 62.12 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.1 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.52 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.13 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.33 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.21 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.12 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.55 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.23 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.01 112.982 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.01 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' HD22 ' A' ' 23' ' ' LEU . 87.6 m-20 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.41 114.021 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.44 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.45 110.173 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.01 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.43 110.714 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.02 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.34 111.418 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.22 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.33 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.33 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.52 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.44 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.11 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.02 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.33 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.23 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.14 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' CB ' HD22 ' A' ' 44' ' ' ASN . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.4 113.021 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.1 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.21 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.4 HD22 ' CB ' ' A' ' 41' ' ' GLN . 83.0 m-20 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.23 110.906 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.54 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.41 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.05 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.31 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.01 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.31 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.32 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.34 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.55 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.847 0.356 . . . . 62.12 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.64 HD22 ' C ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.1 111.009 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.52 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.13 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.33 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.21 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.12 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.55 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.23 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.01 112.785 -177.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.01 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.41 112.488 -179.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.44 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.611 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.45 108.56 178.175 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.01 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.566 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.43 111.232 178.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.02 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.34 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.22 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.33 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.33 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.5 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.52 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.44 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.11 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.02 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.33 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.23 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.14 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.4 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.1 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.21 110.075 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.23 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 13' ' ' ALA . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.41 110.969 -177.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.05 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.31 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.01 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.31 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.32 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.34 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.55 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.116 0.484 . . . . 62.12 110.65 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.1 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.52 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.13 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.33 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.21 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.12 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.55 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.23 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' A' ' 28' ' ' ARG . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.01 111.338 -178.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.01 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.41 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.44 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.677 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.45 111.224 -178.778 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.01 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.545 ' N ' HD22 ' A' ' 24' ' ' ASN . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.677 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.693 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.02 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.34 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.22 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.33 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.33 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.52 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.44 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.11 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.02 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.33 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.23 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.14 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.4 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.1 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.21 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.23 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.54 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.41 110.886 -177.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.05 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.31 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.01 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.31 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.32 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.34 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.55 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.061 0.458 . . . . 62.12 110.073 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.1 111.098 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.52 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.13 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.33 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.21 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.12 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.55 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.23 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.01 111.721 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.01 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.41 113.039 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 53' ' ' ASN . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.44 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.45 109.213 178.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.01 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.43 110.39 178.165 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.02 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.34 110.581 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.22 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.33 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.33 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.52 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.44 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.11 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.02 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.33 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.23 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.14 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.4 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.1 109.405 -177.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.21 110.314 177.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.23 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.54 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.41 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.05 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.31 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.01 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.31 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.32 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.34 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.658 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.55 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 121.211 0.529 . . . . 62.12 110.004 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.1 109.992 178.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.52 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.13 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.33 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.21 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.12 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.55 112.046 178.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.23 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 23' ' ' LEU . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.01 111.709 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.01 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.41 113.043 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.44 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.585 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.45 109.902 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.01 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HG3' HD21 ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.43 111.058 177.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.02 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.34 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.22 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.33 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.33 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.52 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.44 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.11 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.02 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.33 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.23 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.14 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.4 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.1 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.21 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.54 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.41 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.05 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.31 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.01 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.31 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.32 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 20.1 t-20 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.55 112.344 -178.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.12 110.151 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.1 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.52 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.13 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.33 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.21 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.12 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.55 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.23 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.01 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.01 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 81.7 m-20 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.41 113.353 -178.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.44 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.597 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.45 109.286 178.776 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.01 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 24' ' ' ASN . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.43 111.754 178.485 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.566 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.02 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.34 110.886 179.584 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.22 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.33 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.33 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.52 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.44 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.11 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.02 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.33 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.23 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.14 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.4 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.1 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.21 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.23 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.54 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.41 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.05 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.31 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.01 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.31 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.32 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.34 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 22' ' ' ASN . 21.4 t-20 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.55 111.56 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.863 0.363 . . . . 62.12 110.665 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.1 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.52 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.13 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.33 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.21 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.12 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.55 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.23 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.01 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.01 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.41 113.244 -179.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.44 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.588 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.45 109.326 179.22 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.01 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.545 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.43 110.879 177.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.02 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.34 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.22 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.33 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.33 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.52 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.44 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.11 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.02 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.33 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.23 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.14 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.4 113.742 -179.251 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.1 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.21 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.3 m-20 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.23 110.915 178.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.54 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.05 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.31 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.01 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.31 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.32 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.34 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.55 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 112.385 0.513 . . . . 62.12 112.385 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.1 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.52 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.13 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.33 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.21 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.12 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.55 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.23 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.01 112.638 -177.315 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.01 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.41 112.66 -179.282 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.44 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.577 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.45 108.636 178.191 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.01 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.528 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.43 110.876 178.38 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.02 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.34 111.755 179.443 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.22 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.33 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.33 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.8 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.52 111.19 -178.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.44 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.11 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.02 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.33 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.23 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.14 111.554 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.4 113.032 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.1 109.64 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.21 109.837 177.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.23 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.54 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.41 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.05 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.31 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.01 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.31 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.32 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.34 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.521 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.0 t-20 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.55 112.737 -178.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.496 -0.187 . . . . 62.12 110.496 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.1 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.52 110.415 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.33 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.21 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.12 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.55 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.23 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.01 112.95 -177.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.01 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.615 HD22 ' ND2' ' A' ' 53' ' ' ASN . 82.8 m-20 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.41 112.357 -178.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.44 112.557 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.617 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.45 108.5 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.01 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.43 111.656 178.392 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.02 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.9 t-20 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.34 111.839 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.33 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.33 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.0 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.52 111.675 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.44 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.11 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.02 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.33 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.23 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.14 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.4 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.1 110.241 -177.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.21 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.23 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.54 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 13' ' ' ALA . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.41 111.485 -178.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.05 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.31 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.01 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.31 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.32 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.34 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.615 ' ND2' HD22 ' A' ' 22' ' ' ASN . 21.1 t-20 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.55 111.933 -179.279 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.217 -0.66 . . . . 62.12 109.217 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.52 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.13 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.33 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.21 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.12 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.55 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.23 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' LEU . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.01 112.88 -176.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.01 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.41 113.152 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.44 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.45 109.055 179.115 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.01 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.588 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.43 110.997 177.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.02 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.34 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.33 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.33 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.52 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.44 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.11 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.23 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.14 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.4 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.1 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.21 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.23 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.54 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.41 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.05 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.31 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.01 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.31 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.32 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 23' ' ' LEU . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.34 110.596 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.55 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.7 p30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.819 -0.438 . . . . 62.33 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 42.7 t -117.14 135.09 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.357 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.17 118.73 23.79 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.272 0.558 . . . . 64.54 110.79 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -55.81 -34.66 65.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.192 -0.913 . . . . 74.53 111.06 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -91.56 142.74 27.31 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.982 0.42 . . . . 65.43 110.761 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -138.05 163.58 31.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.726 -0.67 . . . . 73.01 110.383 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -101.74 137.24 40.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.668 -0.864 . . . . 63.22 108.668 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.78 -39.2 76.94 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.492 -0.483 . . . . 72.4 111.678 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.22 -35.54 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.793 -0.763 . . . . 72.23 110.74 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.13 -38.27 79.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.1 -0.5 . . . . 74.4 111.269 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -57.21 -38.37 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 62.12 110.874 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.34 -39.2 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.6 -0.44 . . . . 72.1 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.44 87.41 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.488 -0.485 . . . . 71.52 111.913 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.49 -45.66 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.15 -0.62 . . . . 74.13 111.167 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.98 -37.86 83.94 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 113.752 1.019 . . . . 74.33 113.752 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.525 ' OE1' HD11 ' A' ' 46' ' ' LEU . 96.6 mt-10 -62.68 -35.87 81.07 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.036 -1.066 . . . . 74.21 111.153 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -61.02 -42.87 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 119.476 -0.89 . . . . 74.12 109.282 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.14 -36.59 84.11 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.967 -0.56 . . . . 73.55 111.934 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.18 -45.27 91.49 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 113.799 1.036 . . . . 65.23 113.799 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 mt -36.64 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 119.331 -0.366 . . . . 54.01 111.869 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.12 -35.58 32.83 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 CA-C-N 120.384 1.173 . . . . 52.01 112.463 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -59.32 -34.62 72.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.783 -1.099 . . . . 64.41 113.092 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 20' ' ' LEU . 32.2 mt -94.65 144.09 25.89 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.014 0.746 . . . . 72.44 113.014 -175.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.586 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.31 172.84 13.24 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.742 -0.663 . . . . 54.45 109.27 178.181 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 78.8 mm-40 -61.68 -35.04 76.85 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.39 1.255 . . . . 70.01 114.39 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.1 -39.35 89.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 119.012 -1.075 . . . . 73.0 112.706 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG3' HD21 ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.66 -36.73 81.65 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.12 -0.632 . . . . 64.43 111.435 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.9 mtt180 -59.52 -38.22 80.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.938 -0.574 . . . . 71.02 111.438 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.26 -37.92 75.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.207 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.55 -39.77 75.84 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 119.317 -1.421 . . . . 73.22 111.515 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -62.94 -40.37 97.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 119.27 -0.972 . . . . 74.33 111.66 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.65 -43.2 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.97 -0.692 . . . . 53.33 112.004 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -39.32 87.97 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 118.834 -1.146 . . . . 62.52 110.222 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -61.73 -37.94 86.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.796 -0.638 . . . . 73.44 111.012 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.72 -40.71 88.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.678 -0.692 . . . . 61.32 111.33 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.28 -39.7 91.37 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.812 -0.755 . . . . 73.11 112.545 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.07 -41.26 96.29 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.45 76.02 50.24 Favored Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 118.753 -0.642 . . . . 75.33 111.457 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.32 -31.16 90.15 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 CA-C-N 121.248 1.481 . . . . 64.23 112.376 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.35 -30.23 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.142 0.496 . . . . 51.14 111.612 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.6 mt-30 -87.96 12.25 13.8 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.657 0.984 . . . . 73.4 113.657 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.66 -29.52 64.68 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.998 -1.081 . . . . 32.1 109.557 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.14 -1.024 . . . . 65.21 110.25 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.8 m-20 -59.95 -38.82 83.54 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 121.452 0.644 . . . . 74.23 110.415 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.87 -35.11 79.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.893 -1.049 . . . . 63.54 111.403 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD11 ' OE1' ' A' ' 16' ' ' GLU . 20.0 tp -57.13 -40.45 77.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.633 -0.712 . . . . 71.41 110.947 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.99 86.72 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.041 0.756 . . . . 53.05 113.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.58 78.45 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.734 1.383 . . . . 71.31 114.734 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.48 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.234 -0.986 . . . . 71.01 113.337 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -60.92 -38.6 86.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.413 -0.915 . . . . 75.31 111.435 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -60.47 -42.34 96.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.285 0.846 . . . . 75.32 113.285 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.54 -37.6 84.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.871 0.367 . . . . 73.34 111.911 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.19 -40.18 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.505 -0.478 . . . . 30.55 111.3 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -59.91 -38.66 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.525 0.565 . . . . 73.25 112.525 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.56 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.072 1.138 . . . . 75.4 114.072 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.98 -39.68 82.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.6 -0.84 . . . . 75.44 110.845 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 39.59 63.58 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.581 -0.736 . . . . 70.24 111.866 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -24.23 59.65 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.833 1.688 . . . . 74.14 111.651 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.9 mttp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.955 -1.021 . . . . 61.53 110.572 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 62.33 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 4' ' ' ASN . 42.7 t -116.74 134.56 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.297 -0.411 . . . . 72.12 110.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -57.57 -37.56 73.34 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 64.54 110.609 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' H ' HG12 ' A' ' 2' ' ' VAL . 78.2 m-20 59.34 43.7 16.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.631 0.604 . . . . 74.53 112.631 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.32 151.16 19.79 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 65.43 111.486 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -131.38 162.85 29.2 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.56 -0.745 . . . . 73.01 109.102 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -103.92 133.53 48.74 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.289 0.566 . . . . 63.22 111.506 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -58.68 -35.05 71.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.44 -0.8 . . . . 72.4 109.782 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.06 -35.1 77.62 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.141 -0.623 . . . . 72.23 110.276 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.745 -0.782 . . . . 74.4 109.226 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.81 -37.28 76.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.168 -0.924 . . . . 62.12 110.005 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -56.57 -36.49 69.38 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.756 -0.656 . . . . 72.1 110.458 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.92 88.59 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 119.945 -0.702 . . . . 71.52 109.788 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.63 -47.51 85.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.256 0.836 . . . . 74.13 113.256 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -59.82 -40.39 88.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.95 0.722 . . . . 74.33 112.95 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -33.97 76.12 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.287 -0.415 . . . . 74.21 112.074 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -57.66 -40.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 119.377 -0.929 . . . . 74.12 108.613 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 63.4 mt -61.97 -35.62 79.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.635 . . . . 73.55 111.67 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.37 -43.41 88.41 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 114.774 1.398 . . . . 65.23 114.774 -176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.6 mt -32.63 85.99 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 N-CA-C 112.493 0.553 . . . . 54.01 112.493 -177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.3 Cg_endo -66.99 -35.09 27.06 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 121.093 1.195 . . . . 52.01 114.07 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.618 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.7 m-20 -58.53 -34.03 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.231 0.826 . . . . 64.41 113.231 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -91.25 143.73 26.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.548 0.944 . . . . 72.44 113.548 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.575 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.09 171.86 14.62 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.098 -0.956 . . . . 54.45 110.094 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -36.42 73.24 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.74 1.385 . . . . 70.01 114.74 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.79 -40.5 95.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 118.353 -1.339 . . . . 73.0 112.621 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' HG3' HD21 ' A' ' 24' ' ' ASN . 64.4 mt-30 -62.53 -36.58 83.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.256 -0.578 . . . . 64.43 111.751 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 18' ' ' LEU . 36.7 mmm-85 -58.51 -38.58 77.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.389 -0.823 . . . . 71.02 109.701 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.4 t-20 -59.62 -39.09 83.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 112.936 0.717 . . . . 75.34 112.936 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.65 -41.76 90.11 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 118.922 -1.609 . . . . 73.22 111.923 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.48 -39.17 93.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.791 . . . . 74.33 113.137 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.81 -47.95 84.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.459 -0.896 . . . . 53.33 111.648 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 61.8 mt-30 -62.34 -38.2 88.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 62.52 111.934 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.61 -37.23 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 73.44 111.345 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.3 tp -58.97 -40.26 84.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.935 -0.575 . . . . 61.32 111.066 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.75 -41.2 94.93 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.467 0.543 . . . . 73.11 112.467 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.1 -41.05 91.69 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.92 1.081 . . . . 73.02 113.92 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.0 p-10 -137.09 74.66 49.19 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 118.799 -0.62 . . . . 75.33 111.686 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.42 -32.63 96.69 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 CA-C-N 121.191 1.461 . . . . 64.23 112.73 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -60.51 -37.65 81.82 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.231 0.539 . . . . 51.14 111.597 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.35 12.85 13.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.193 -0.912 . . . . 73.4 113.282 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.67 -30.26 65.3 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.213 -0.995 . . . . 32.1 109.841 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.13 96.38 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.021 -1.072 . . . . 65.21 110.168 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.48 -39.08 86.38 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.444 -0.502 . . . . 74.23 111.131 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.68 -35.98 82.34 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.559 -0.746 . . . . 63.54 111.166 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.34 -39.49 79.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.489 -0.778 . . . . 71.41 111.51 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.715 -0.794 . . . . 53.05 112.226 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.98 -35.35 80.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.311 0.856 . . . . 71.31 113.311 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.3 96.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.773 -0.771 . . . . 71.01 111.832 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.42 -40.74 92.1 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.091 -0.644 . . . . 75.31 110.698 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.97 -43.06 95.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.37 -0.832 . . . . 75.32 112.816 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.09 -38.55 89.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 73.34 111.016 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.9 t-20 -56.67 -40.11 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 30.55 111.835 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.66 -39.37 84.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.802 0.667 . . . . 73.25 112.802 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.74 89.3 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.216 0.821 . . . . 75.4 113.216 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.3 tt0 -61.22 -38.19 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.592 -0.843 . . . . 75.44 110.652 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -126.84 78.81 73.17 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.002 -0.999 . . . . 70.24 110.995 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.73 -17.57 18.38 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 120.858 1.039 . . . . 74.14 110.929 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.596 ' NZ ' HD21 ' A' ' 22' ' ' ASN . 20.4 pttm . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.034 -0.984 . . . . 61.53 110.999 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.2 t0 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.483 -0.562 . . . . 62.33 109.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 4' ' ' ASN . 41.9 t -117.13 135.72 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.119 0.485 . . . . 72.12 109.972 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -56.76 -37.0 70.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.236 -0.438 . . . . 64.54 111.401 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' H ' HG12 ' A' ' 2' ' ' VAL . 18.1 m120 -84.4 5.89 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.424 . . . . 74.53 110.884 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -57.49 -36.78 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 65.43 110.509 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -134.66 162.34 32.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.891 0.377 . . . . 73.01 110.605 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.25 124.2 47.41 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.084 -0.507 . . . . 63.22 109.653 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -57.53 -35.16 69.94 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.179 -0.608 . . . . 72.4 109.89 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.25 -36.16 74.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.051 -0.66 . . . . 72.23 109.873 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.43 -37.92 76.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.186 0.517 . . . . 74.4 110.307 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.15 -37.88 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.62 -0.718 . . . . 62.12 110.694 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.75 -39.21 70.87 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 72.1 110.945 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.54 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.594 -0.443 . . . . 71.52 111.2 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.6 -44.92 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.456 -0.497 . . . . 74.13 110.565 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -60.16 -36.67 78.08 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.873 0.694 . . . . 74.33 112.873 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.89 -35.93 79.81 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.661 -0.815 . . . . 74.21 110.925 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.93 -43.46 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.846 -0.741 . . . . 74.12 109.568 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.39 -36.94 85.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.481 -0.781 . . . . 73.55 112.11 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -59.68 -45.41 92.16 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.879 1.066 . . . . 65.23 113.879 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 23' ' ' LEU . 11.5 mt -36.24 88.73 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.111 0 O-C-N 123.36 0.412 . . . . 54.01 111.919 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.9 Cg_endo -66.93 -37.61 19.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 CA-C-N 120.153 1.09 . . . . 52.01 113.004 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.27 -33.97 71.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.15 -0.932 . . . . 64.41 112.448 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 20' ' ' LEU . 48.5 mt -90.97 143.69 26.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.414 0.524 . . . . 72.44 112.414 -176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.718 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -80.57 169.04 18.19 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.539 -0.755 . . . . 54.45 109.467 178.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.22 -35.08 77.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.382 0.882 . . . . 70.01 113.382 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.95 -38.2 85.05 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.211 -0.995 . . . . 73.0 110.92 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 66.2 tp60 -59.77 -38.88 83.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 64.43 110.529 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.19 -36.72 75.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.846 -0.616 . . . . 71.02 110.509 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.46 -38.85 72.25 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.035 -0.53 . . . . 75.34 111.399 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.7 92.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 118.647 -1.74 . . . . 73.22 111.356 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -64.82 -41.19 95.96 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.892 -0.723 . . . . 74.33 112.71 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.63 -44.06 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 120.148 -0.621 . . . . 53.33 112.328 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.6 -38.76 88.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.604 -0.839 . . . . 62.52 110.752 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 m -61.2 -36.97 81.33 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.492 -0.777 . . . . 73.44 111.053 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.8 -40.22 83.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.552 -0.749 . . . . 61.32 111.119 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.69 -41.89 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.111 -0.636 . . . . 73.11 111.519 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.82 -40.9 94.5 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.521 0.934 . . . . 73.02 113.521 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.86 74.64 63.58 Favored Pre-proline 0 N--CA 1.471 0.617 0 CA-C-O 118.813 -0.613 . . . . 75.33 111.739 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.28 -31.73 94.36 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.081 1.422 . . . . 64.23 112.776 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.47 -30.33 71.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.192 0.52 . . . . 51.14 111.472 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.0 mt-30 -88.04 11.9 14.85 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.499 0.926 . . . . 73.4 113.499 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -57.9 -30.22 65.7 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.172 -1.011 . . . . 32.1 109.799 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.04 96.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 119.117 -1.033 . . . . 65.21 110.084 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.402 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.2 m-20 -60.03 -38.6 83.2 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 115.92 -0.582 . . . . 74.23 110.951 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.13 -35.89 81.78 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.359 -0.837 . . . . 63.54 111.133 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.72 -40.05 82.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 71.41 111.065 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.45 88.61 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.866 -0.733 . . . . 53.05 112.786 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.36 -35.27 80.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.307 0.854 . . . . 71.31 113.307 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.68 98.28 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.352 -0.939 . . . . 71.01 111.809 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.92 -41.2 95.68 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.82 -0.752 . . . . 75.31 110.206 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.08 -42.75 95.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.808 -1.087 . . . . 75.32 112.574 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.99 -37.83 86.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 73.34 111.869 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.98 -39.87 72.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.945 -0.571 . . . . 30.55 112.063 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.0 t0 -59.21 -39.26 82.1 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.49 -0.484 . . . . 73.25 112.231 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.182 0.808 . . . . 75.4 113.182 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -59.11 -38.68 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.445 0.535 . . . . 75.44 112.445 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.61 160.8 62.77 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 120.8 0.333 . . . . 70.24 111.314 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 17.8 Cg_endo -58.62 -23.96 68.02 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.682 2.255 . . . . 74.14 111.107 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.993 -1.004 . . . . 61.53 110.649 -179.592 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.318 -0.623 . . . . 62.33 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 m -128.71 159.4 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.655 -0.702 . . . . 72.12 109.203 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -81.44 114.67 20.34 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 122.125 0.964 . . . . 64.54 110.39 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 22.7 p30 -91.06 9.07 32.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.574 -1.648 . . . . 74.53 113.186 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.46 132.91 35.2 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.416 -0.914 . . . . 65.43 111.659 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.5 157.44 33.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 114.325 -1.307 . . . . 73.01 110.549 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -100.59 134.57 43.36 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.239 -1.393 . . . . 63.22 107.239 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.12 -37.23 74.19 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.191 -0.604 . . . . 72.4 112.118 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.66 -35.6 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.693 -0.803 . . . . 72.23 110.543 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.441 HE21 HD21 ' A' ' 35' ' ' LEU . 63.3 tt0 -59.47 -39.32 83.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.712 0.634 . . . . 74.4 112.712 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.22 -37.33 79.97 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.181 -0.608 . . . . 62.12 111.959 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -39.35 76.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.926 -0.71 . . . . 72.1 110.511 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.28 86.87 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.69 -0.686 . . . . 71.52 112.254 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.32 -47.66 83.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 119.49 -0.884 . . . . 74.13 111.978 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -62.01 -39.19 91.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.641 -0.823 . . . . 74.33 112.197 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -35.8 81.99 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.835 0.68 . . . . 74.21 112.835 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -61.0 -43.9 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 118.114 -1.434 . . . . 74.12 108.315 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.49 -37.59 87.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.74 -1.118 . . . . 73.55 111.778 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 83.7 t60 -61.08 -45.69 93.68 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 115.445 1.646 . . . . 65.23 115.445 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 7.7 mt -35.68 88.05 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 113.005 0.743 . . . . 54.01 113.005 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.6 Cg_endo -67.01 -36.24 22.97 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 CA-C-N 120.011 1.04 . . . . 52.01 113.104 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.97 -34.42 71.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.385 -0.825 . . . . 64.41 113.059 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -93.39 143.1 26.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.068 0.461 . . . . 72.44 112.121 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.596 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.96 172.12 13.69 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.981 -0.748 . . . . 54.45 108.981 179.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.75 -34.26 75.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.515 0.932 . . . . 70.01 113.515 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.69 -39.81 89.89 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.007 -1.077 . . . . 73.0 112.821 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.0 mt-30 -62.1 -37.27 84.45 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 119.382 -0.927 . . . . 64.43 111.224 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -59.25 -37.49 77.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.532 -0.758 . . . . 71.02 110.621 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.24 -38.66 77.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.927 -0.709 . . . . 75.34 110.893 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -42.45 93.97 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 119.437 -1.363 . . . . 73.22 112.319 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -64.37 -41.26 96.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 119.202 -0.999 . . . . 74.33 112.082 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.4 -45.92 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 119.937 -0.705 . . . . 53.33 112.67 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.12 -39.48 92.65 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.309 -0.956 . . . . 62.52 111.122 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.2 p -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 73.44 111.139 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD21 HE21 ' A' ' 10' ' ' GLN . 26.4 tp -60.39 -40.44 90.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.22 -0.592 . . . . 61.32 110.872 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.12 -42.0 97.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.943 -0.571 . . . . 73.11 111.732 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -40.76 95.35 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -134.46 73.63 68.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 CA-C-O 118.916 -0.564 . . . . 75.33 111.852 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.03 -31.26 95.34 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 CA-C-N 120.982 1.386 . . . . 64.23 112.229 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.0 p -64.22 -31.04 72.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.127 0.489 . . . . 51.14 111.458 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.44 10.2 20.93 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.514 -0.767 . . . . 73.4 112.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.38 -30.08 66.52 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.264 -0.974 . . . . 32.1 109.479 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.111 -1.036 . . . . 65.21 109.541 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.52 -39.26 87.15 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.307 -0.557 . . . . 74.23 110.918 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.96 -36.57 84.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.457 -0.792 . . . . 63.54 111.55 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.1 tt -59.31 -40.27 85.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.867 -0.606 . . . . 71.41 111.807 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.59 86.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.338 -0.945 . . . . 53.05 112.292 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.07 -36.84 84.28 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.058 0.762 . . . . 71.31 113.058 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.91 81.86 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 119.539 -0.865 . . . . 71.01 112.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.41 -42.35 98.6 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.322 -0.551 . . . . 75.31 111.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.73 -42.57 97.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.583 -0.735 . . . . 75.32 112.775 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.7 -38.38 87.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.279 -0.568 . . . . 73.34 111.041 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.42 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.8 t-20 -56.81 -41.5 77.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.047 -0.524 . . . . 30.55 111.412 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.11 -39.61 90.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.598 0.592 . . . . 73.25 112.598 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.85 93.77 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.983 1.105 . . . . 75.4 113.983 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -59.68 -39.35 84.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.593 -0.843 . . . . 75.44 110.236 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 34.13 59.74 2.03 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.331 -0.85 . . . . 70.24 112.007 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.15 -24.37 76.73 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.97 1.78 . . . . 74.14 111.69 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.035 -0.983 . . . . 61.53 110.621 -178.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.242 -0.651 . . . . 62.33 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t 35.18 79.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.272 -0.422 . . . . 72.12 111.157 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.35 141.81 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 64.54 112.012 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -56.42 -32.61 65.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.437 -1.256 . . . . 74.53 111.412 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.93 -33.28 66.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.753 -0.658 . . . . 65.43 112.679 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.62 132.67 49.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.647 0.737 . . . . 73.01 111.729 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -106.46 139.18 41.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.423 -1.262 . . . . 63.22 109.593 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.31 -35.12 67.18 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.878 -0.729 . . . . 72.4 110.962 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.27 -33.59 74.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.013 -0.675 . . . . 72.23 110.012 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.52 HE21 HD11 ' A' ' 35' ' ' LEU . 62.1 tt0 -56.63 -37.14 70.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.92 -0.582 . . . . 74.4 109.997 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.37 -37.52 67.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.636 -0.711 . . . . 62.12 110.234 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.44 -38.76 69.43 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.918 0.39 . . . . 72.1 110.786 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.261 -0.576 . . . . 71.52 111.025 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.85 -44.66 86.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.22 -0.592 . . . . 74.13 111.306 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -59.88 -40.01 87.22 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.981 -0.688 . . . . 74.33 112.812 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.1 mt-10 -65.48 -39.23 91.71 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 118.429 -1.309 . . . . 74.21 111.705 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.11 -41.84 93.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 122.201 1.001 . . . . 74.12 109.5 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.85 -39.06 87.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.677 -1.601 . . . . 73.55 111.691 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.2 t-80 -60.43 -43.67 96.56 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 114.654 1.353 . . . . 65.23 114.654 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 37.4 mt -33.22 87.69 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 113.325 0.861 . . . . 54.01 113.325 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.08 -33.49 40.75 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 CA-C-N 119.895 0.998 . . . . 52.01 112.216 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -58.38 -34.02 70.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.007 -0.997 . . . . 64.41 113.521 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -90.73 144.15 26.02 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.656 -0.418 . . . . 72.44 111.16 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.7 p30 -77.36 169.52 18.17 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 108.299 -1.001 . . . . 54.45 108.299 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 77.7 mm-40 -63.13 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.498 -0.881 . . . . 70.01 112.985 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -64.64 -40.83 96.15 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.848 -1.141 . . . . 73.0 111.575 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' A' ' 52' ' ' LEU . 61.8 tt0 -61.73 -38.33 87.51 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.163 -0.615 . . . . 64.43 110.247 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.5 ttm180 -56.55 -38.65 72.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.183 -0.917 . . . . 71.02 109.757 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.507 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.0 t-20 -56.27 -37.65 70.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.599 -0.728 . . . . 75.34 111.614 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.25 -41.83 80.47 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 118.759 -1.686 . . . . 73.22 111.849 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.423 1.111 . . . . 74.33 112.341 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.77 -45.11 95.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.068 -0.653 . . . . 53.33 112.189 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.9 mt-30 -62.08 -38.67 89.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.661 -0.816 . . . . 62.52 110.552 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.97 -37.02 80.95 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.23 -0.895 . . . . 73.44 111.082 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD11 HE21 ' A' ' 10' ' ' GLN . 26.6 tp -58.59 -40.4 83.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.527 -0.76 . . . . 61.32 111.231 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.16 -38.9 88.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.151 -0.62 . . . . 73.11 112.101 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.83 -41.31 91.05 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.605 0.965 . . . . 73.02 113.605 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.4 p30 -135.13 74.6 62.11 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.798 -0.62 . . . . 75.33 112.067 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.4 -31.98 95.21 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 CA-C-N 121.093 1.426 . . . . 64.23 112.418 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -60.68 -37.34 81.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.272 0.558 . . . . 51.14 111.785 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.1 mt-30 -87.57 12.42 12.52 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.677 0.992 . . . . 73.4 113.677 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -57.69 -29.77 64.93 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.02 -1.072 . . . . 32.1 110.268 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 118.74 -1.184 . . . . 65.21 109.612 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.5 m-20 -60.14 -38.61 83.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.002 -0.544 . . . . 74.23 110.905 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.27 -36.02 82.29 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.466 -0.788 . . . . 63.54 111.152 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.519 HD21 ' OE1' ' A' ' 16' ' ' GLU . 9.2 tt -58.43 -40.38 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 71.41 111.005 -178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.06 86.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.637 0.977 . . . . 53.05 113.637 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.24 -35.92 82.52 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 113.71 1.004 . . . . 71.31 113.71 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.724 -0.791 . . . . 71.01 112.442 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -60.43 -41.09 93.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.106 -0.638 . . . . 75.31 111.019 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -60.29 -42.53 95.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 27' ' ' GLN . 27.1 tp -61.53 -38.81 88.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.233 0.539 . . . . 73.34 111.277 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.24 -39.16 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.47 -0.786 . . . . 30.55 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.909 -0.717 . . . . 73.25 112.633 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.61 83.94 Favored 'General case' 0 C--N 1.335 -0.062 0 C-N-CA 119.194 -1.002 . . . . 75.4 111.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.35 -36.12 81.23 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.007 -0.542 . . . . 75.44 111.157 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.43 147.52 96.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 70.24 110.724 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.2 -22.34 56.36 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.537 1.491 . . . . 74.14 110.398 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.024 -0.989 . . . . 61.53 110.086 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 t0 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.5 -0.556 . . . . 62.33 109.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -117.11 135.02 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.259 -0.428 . . . . 72.12 110.442 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -83.02 119.4 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.307 0.575 . . . . 64.54 111.39 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -55.44 -33.81 63.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.146 -0.934 . . . . 74.53 110.306 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.64 149.01 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.811 -0.632 . . . . 65.43 110.697 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.04 156.41 28.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.509 -0.768 . . . . 73.01 110.678 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -95.2 145.08 25.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.892 -0.594 . . . . 63.22 110.004 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.47 -40.98 79.7 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.292 -0.563 . . . . 72.4 112.129 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.62 -37.91 89.21 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 118.178 -1.409 . . . . 72.23 109.255 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -62.74 -36.36 82.76 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.101 -0.954 . . . . 74.4 112.354 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.03 -39.0 77.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 62.12 110.946 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.82 -39.06 73.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 72.1 111.395 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.333 -0.547 . . . . 71.52 112.188 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.6 -46.75 88.01 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.821 -0.752 . . . . 74.13 112.919 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -59.49 -39.58 84.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.85 -0.74 . . . . 74.33 111.807 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.44 -34.43 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 74.21 112.567 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.29 -43.59 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 119.55 -0.86 . . . . 74.12 109.979 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.36 -37.15 86.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.47 . . . . 73.55 112.107 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.0 t-80 -60.26 -45.27 93.88 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 116.278 1.955 . . . . 65.23 116.278 -175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 23' ' ' LEU . 7.7 mt -33.96 86.59 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.199 0 N-CA-C 112.718 0.636 . . . . 54.01 112.718 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.5 Cg_endo -67.86 -35.98 19.53 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 120.72 0.946 . . . . 52.01 112.852 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.508 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.9 m-20 -58.65 -34.93 71.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.184 -0.916 . . . . 64.41 113.293 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.6 mp -93.36 143.63 26.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.605 0.595 . . . . 72.44 112.605 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.572 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.09 170.86 15.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.655 -0.702 . . . . 54.45 110.016 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.77 -35.92 73.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 114.527 1.306 . . . . 70.01 114.527 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.61 -40.83 96.24 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 117.815 -1.554 . . . . 73.0 112.208 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.471 ' HG3' HD21 ' A' ' 24' ' ' ASN . 63.8 mt-30 -62.77 -37.04 85.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.043 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -57.23 -41.46 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.098 -0.956 . . . . 71.02 111.335 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.0 t-20 -59.99 -38.81 83.67 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 113.029 0.751 . . . . 75.34 113.029 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.32 87.97 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 119.086 -1.53 . . . . 73.22 112.416 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.2 -40.67 96.56 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.656 -0.818 . . . . 74.33 112.879 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.43 -46.72 92.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 119.676 -0.81 . . . . 53.33 111.403 -177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.2 mt-30 -62.22 -38.75 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 62.52 112.369 -178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 m -60.79 -37.89 83.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.941 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.52 -39.17 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 61.32 110.863 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -60.03 -41.87 93.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 73.11 111.539 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.33 -41.49 93.68 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.888 0.699 . . . . 73.02 112.888 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.76 75.97 54.78 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-O 118.716 -0.659 . . . . 75.33 111.624 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.01 -30.96 91.74 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 CA-C-N 121.288 1.496 . . . . 64.23 112.447 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.15 -37.25 79.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.312 0.577 . . . . 51.14 111.113 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.8 mt-30 -87.66 11.3 15.5 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.137 -0.938 . . . . 73.4 113.513 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -58.08 -29.98 65.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.057 -1.057 . . . . 32.1 109.543 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.76 96.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.226 -0.99 . . . . 65.21 109.988 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.5 m-20 -59.98 -38.38 82.39 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.226 0.536 . . . . 74.23 110.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.09 -35.73 81.24 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.401 -0.818 . . . . 63.54 110.946 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.8 tt -58.21 -40.33 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 71.41 111.154 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.95 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.854 -0.739 . . . . 53.05 112.808 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.4 -36.64 84.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.044 0.757 . . . . 71.31 113.044 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.41 92.9 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.546 -0.862 . . . . 71.01 112.241 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.028 -0.669 . . . . 75.31 111.27 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.68 -42.75 97.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.709 -0.678 . . . . 75.32 112.235 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.04 -38.22 87.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.121 0.486 . . . . 73.34 111.13 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.559 ' HA ' HD11 ' A' ' 23' ' ' LEU . 19.6 t-20 -56.4 -39.75 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 30.55 112.034 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.27 -39.66 83.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.483 0.549 . . . . 73.25 112.483 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.79 94.27 Favored 'General case' 0 N--CA 1.46 0.069 0 C-N-CA 120.055 -0.658 . . . . 75.4 112.263 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.237 0.542 . . . . 75.44 110.756 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -127.46 79.67 72.98 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 115.28 -0.873 . . . . 70.24 110.939 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.52 -17.1 20.76 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 120.798 0.998 . . . . 74.14 111.022 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.999 -1.0 . . . . 61.53 111.216 -178.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.812 -0.44 . . . . 62.33 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.87 157.31 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.262 -0.426 . . . . 72.12 110.254 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 56.07 46.18 22.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 64.54 110.525 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.589 HD22 ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -85.66 5.25 32.83 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.834 -0.346 . . . . 74.53 111.14 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.589 ' N ' HD22 ' A' ' 4' ' ' ASN . 18.2 mtpp -58.87 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.003 -0.74 . . . . 65.43 109.003 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -118.56 156.36 29.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.596 -1.183 . . . . 73.01 109.524 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -96.36 140.65 30.72 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.837 -0.431 . . . . 63.22 109.837 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.64 -36.17 71.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 72.4 111.024 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.85 -35.21 79.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.833 -0.747 . . . . 72.23 110.19 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -58.86 -37.82 77.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.086 -0.507 . . . . 74.4 110.867 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.67 -38.3 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 62.12 110.624 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.56 -39.02 72.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.301 -0.409 . . . . 72.1 111.476 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.67 92.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.029 -0.668 . . . . 71.52 111.779 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.73 -47.7 85.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 113.778 1.029 . . . . 74.13 113.778 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -59.91 -40.63 89.45 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.124 -0.63 . . . . 74.33 112.306 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -34.47 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.187 0.81 . . . . 74.21 113.187 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -58.6 -40.65 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 119.054 -1.058 . . . . 74.12 109.188 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.57 -35.88 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 73.55 111.129 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -58.79 -44.48 90.76 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.635 0.976 . . . . 65.23 113.635 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 23' ' ' LEU . 21.2 mt -35.57 88.72 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 CA-C-O 119.371 -0.347 . . . . 54.01 111.501 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.1 Cg_endo -65.97 -37.51 26.17 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 120.183 1.101 . . . . 52.01 113.067 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 84.6 m-20 -59.16 -34.31 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.155 -0.929 . . . . 64.41 112.632 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 20' ' ' LEU . 37.6 mt -91.48 143.4 26.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.232 0.456 . . . . 72.44 112.232 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.575 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.59 170.73 14.85 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.686 -0.857 . . . . 54.45 108.686 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.24 -35.08 71.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.434 0.902 . . . . 70.01 113.434 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -37.67 87.77 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.237 -0.985 . . . . 73.0 113.342 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.524 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 15.6 mm100 -61.69 -36.99 82.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.265 -0.974 . . . . 64.43 110.94 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -59.57 -38.41 81.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 71.02 111.31 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.66 -38.67 78.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.067 -0.653 . . . . 75.34 111.135 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.74 -40.67 89.39 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.254 -1.45 . . . . 73.22 110.988 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -63.36 -39.87 95.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.727 -0.789 . . . . 74.33 111.505 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.77 -42.55 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 119.963 -0.695 . . . . 53.33 112.008 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.56 -39.17 87.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.824 -1.15 . . . . 62.52 110.157 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.8 p -65.31 -31.53 72.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.812 -0.631 . . . . 73.44 111.038 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -60.74 -40.94 94.28 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.847 -0.741 . . . . 61.32 110.83 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -61.19 -39.48 90.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.896 -0.722 . . . . 73.11 112.54 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.32 -41.73 94.13 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 21.1 t0 -137.56 75.72 43.85 Favored Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 118.828 -0.606 . . . . 75.33 111.752 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.92 -31.85 93.7 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 CA-C-N 121.231 1.475 . . . . 64.23 112.683 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.61 -37.22 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.362 0.601 . . . . 51.14 111.787 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -88.15 14.26 9.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.7 1.0 . . . . 73.4 113.7 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.04 -30.29 64.12 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.296 -0.962 . . . . 32.1 110.209 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.41 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 118.905 -1.118 . . . . 65.21 110.448 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.29 -38.83 84.81 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 121.176 0.513 . . . . 74.23 111.271 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.44 -36.37 83.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.439 -0.801 . . . . 63.54 111.144 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 tp -58.72 -39.17 80.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.373 -0.831 . . . . 71.41 111.977 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.9 89.11 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.864 -0.734 . . . . 53.05 112.42 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.31 -34.91 79.23 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 113.24 0.83 . . . . 71.31 113.24 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.92 95.89 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.87 -0.732 . . . . 71.01 112.64 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.26 -40.1 89.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.969 -0.692 . . . . 75.31 110.59 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.92 -42.75 94.63 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.633 0.975 . . . . 75.32 113.633 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.1 -38.3 88.36 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.092 -0.643 . . . . 73.34 110.88 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.528 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 58.0 t-20 -56.44 -39.35 72.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 30.55 112.987 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.52 -39.6 84.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.847 0.684 . . . . 73.25 112.847 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.21 84.34 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.726 1.01 . . . . 75.4 113.726 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' OE1' HD23 ' A' ' 23' ' ' LEU . 62.1 tt0 -61.3 -36.85 81.23 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.857 -0.737 . . . . 75.44 111.673 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -123.91 81.23 56.36 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 115.621 -0.718 . . . . 70.24 111.842 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LYS . 50.2 Cg_exo -54.42 -18.28 14.41 Favored 'Trans proline' 0 C--N 1.299 -2.028 0 C-N-CA 122.209 1.939 . . . . 74.14 110.424 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PRO . 92.3 mttt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 61.53 111.603 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.4 p30 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.769 -0.456 . . . . 62.33 109.769 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.36 -27.86 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -55.87 -36.86 68.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.038 -0.727 . . . . 64.54 109.038 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 59.86 43.67 14.72 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.203 1.186 . . . . 74.53 114.203 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -95.55 141.34 29.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.313 -0.625 . . . . 65.43 109.313 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.04 153.19 36.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.124 0.488 . . . . 73.01 111.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.98 131.22 50.1 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.645 -0.872 . . . . 63.22 108.645 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.38 -36.87 69.36 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.521 . . . . 72.4 111.224 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -66.05 -31.19 71.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.2 -1.0 . . . . 72.23 110.386 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.69 -36.51 74.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.312 0.577 . . . . 74.4 110.272 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -55.02 -37.7 66.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 62.12 111.106 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -56.7 -37.72 71.29 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.656 -0.818 . . . . 72.1 110.486 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.78 83.16 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.522 -0.871 . . . . 71.52 109.765 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.35 -45.44 91.38 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.719 -0.845 . . . . 74.13 108.719 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 18' ' ' LEU . 92.0 m95 -59.86 -37.79 80.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.206 -0.906 . . . . 74.33 111.951 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.72 -37.41 78.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.76 -0.776 . . . . 74.21 109.976 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.57 -42.78 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.182 -0.607 . . . . 74.12 109.944 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' CE3' ' A' ' 15' ' ' TRP . 62.0 mt -62.38 -36.62 82.87 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.625 -0.716 . . . . 73.55 111.748 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -59.32 -45.09 92.26 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 113.889 1.07 . . . . 65.23 113.889 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 23' ' ' LEU . 16.4 mt -36.39 89.3 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 CA-C-O 119.324 -0.37 . . . . 54.01 111.764 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 57.4 Cg_endo -65.98 -37.11 27.62 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.292 1.14 . . . . 52.01 112.695 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.2 m-20 -59.16 -34.71 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.969 -1.014 . . . . 64.41 113.254 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 20' ' ' LEU . 38.4 mt -94.02 143.0 26.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.378 0.51 . . . . 72.44 112.378 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.605 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.66 173.18 12.58 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.487 -0.56 . . . . 54.45 109.487 178.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.66 -34.57 75.95 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.786 1.402 . . . . 70.01 114.786 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.29 -38.71 84.45 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 118.594 -1.242 . . . . 73.0 111.604 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 24' ' ' ASN . 62.0 mt-30 -61.36 -35.97 78.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.622 -0.431 . . . . 64.43 111.336 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.74 -37.62 76.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 120.2 -0.6 . . . . 71.02 109.929 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.76 -39.08 76.58 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.762 -0.653 . . . . 75.34 112.34 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.97 -41.68 92.31 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 118.795 -1.669 . . . . 73.22 111.938 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -64.79 -40.24 94.92 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 119.805 -0.758 . . . . 74.33 112.994 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.08 -44.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.043 -0.663 . . . . 53.33 111.761 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.53 -38.61 88.03 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.892 -0.723 . . . . 62.52 110.894 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.09 80.87 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.58 -0.736 . . . . 73.44 111.12 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.58 -40.33 82.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.727 -0.669 . . . . 61.32 111.281 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.0 -39.46 89.77 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.017 -0.673 . . . . 73.11 112.108 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.02 -41.31 96.31 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.608 0.966 . . . . 73.02 113.608 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.4 p30 -137.35 75.58 45.52 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 118.891 -0.575 . . . . 75.33 111.902 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.76 -31.51 92.38 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 CA-C-N 121.27 1.489 . . . . 64.23 112.671 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.14 80.27 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.173 0.511 . . . . 51.14 111.889 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -87.7 13.71 9.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.652 0.982 . . . . 73.4 113.652 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.5 p -57.42 -30.2 64.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.278 -0.969 . . . . 32.1 110.109 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.44 96.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 118.799 -1.16 . . . . 65.21 110.11 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 116.033 -0.53 . . . . 74.23 111.346 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.24 -36.59 84.17 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.677 -0.692 . . . . 63.54 111.253 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.8 -39.45 81.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.368 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.58 87.92 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.039 -0.664 . . . . 53.05 111.568 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.26 -34.57 78.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 113.083 0.772 . . . . 71.31 113.083 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.57 93.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.546 -0.862 . . . . 71.01 111.888 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.45 -40.67 92.01 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.647 -0.821 . . . . 75.31 110.366 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.24 -42.84 96.1 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.35 -0.841 . . . . 75.32 113.079 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.95 -38.23 87.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.344 -0.543 . . . . 73.34 110.913 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -56.61 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 30.55 112.142 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.366 0.506 . . . . 73.25 112.366 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.86 92.67 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.814 0.672 . . . . 75.4 112.814 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.76 -38.33 84.83 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.75 0.786 . . . . 75.44 109.806 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -127.58 85.77 60.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.23 -1.35 . . . . 70.24 111.642 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.12 -19.51 9.04 Favored 'Trans proline' 0 C--N 1.299 -2.04 0 N-CA-C 107.977 -1.586 . . . . 74.14 107.977 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 57' ' ' ALA . 76.3 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-N 114.075 -1.421 . . . . 61.53 110.624 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.338 -0.616 . . . . 62.33 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.18 135.44 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.0 142.87 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.235 0.54 . . . . 64.54 110.142 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.559 ' C ' ' H ' ' A' ' 6' ' ' PHE . 85.9 m-20 -56.27 -35.64 67.68 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.224 -1.028 . . . . 74.53 108.224 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 6' ' ' PHE . 16.0 ttpp 57.16 -7.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.532 -1.213 . . . . 65.43 112.481 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 5' ' ' LYS . 97.2 m-85 -119.52 152.73 36.49 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.149 -0.686 . . . . 73.01 109.149 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 HD22 ' C ' ' A' ' 6' ' ' PHE . 2.9 m120 -106.0 134.25 49.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.132 0.492 . . . . 63.22 110.409 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -58.24 -35.59 71.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.209 -0.663 . . . . 72.4 109.209 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -34.21 76.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.646 . . . . 72.23 110.616 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.658 HE21 ' CB ' ' A' ' 42' ' ' SER . 49.5 tt0 -57.62 -39.06 76.06 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.368 -0.533 . . . . 74.4 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.71 -38.51 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.073 -0.651 . . . . 62.12 109.806 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -57.11 -36.75 71.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.585 -0.734 . . . . 72.1 110.041 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.87 81.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 71.52 111.074 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.22 -46.96 87.06 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.521 -0.872 . . . . 74.13 112.178 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -59.73 -39.4 84.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.673 -0.694 . . . . 74.33 111.85 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.26 -34.19 76.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.757 -0.656 . . . . 74.21 112.648 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.74 -41.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.632 -0.827 . . . . 74.12 109.437 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 mt -62.15 -36.63 82.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.942 -0.572 . . . . 73.55 111.326 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.1 t-80 -60.07 -45.15 93.85 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.332 1.604 . . . . 65.23 115.332 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 23' ' ' LEU . 10.9 mt -35.45 88.84 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 112.444 0.535 . . . . 54.01 112.444 -177.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.6 Cg_endo -66.75 -37.88 19.61 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 CA-C-N 119.997 1.035 . . . . 52.01 114.052 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 83.1 m-20 -59.01 -34.11 71.5 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.946 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.671 ' CD1' HD22 ' A' ' 53' ' ' ASN . 5.6 mp -88.51 143.35 27.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.164 0.801 . . . . 72.44 113.164 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.573 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -79.86 170.92 15.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.164 -0.925 . . . . 54.45 108.916 178.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.02 -34.71 76.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.118 1.155 . . . . 70.01 114.118 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.15 -40.07 92.47 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.001 -1.08 . . . . 73.0 112.976 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 98.3 mt-30 -62.13 -37.04 83.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.249 -0.981 . . . . 64.43 111.555 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -59.45 -38.27 80.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 71.02 111.007 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.7 t-20 -58.54 -39.41 80.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 120.443 -0.503 . . . . 75.34 111.654 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.2 93.43 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 119.417 -1.373 . . . . 73.22 112.107 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.14 -41.41 97.19 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.621 -0.832 . . . . 74.33 112.722 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.84 -45.42 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 119.587 -0.845 . . . . 53.33 111.46 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 91.4 mt-30 -62.08 -38.7 89.82 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.603 0.715 . . . . 62.52 111.031 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.7 p -64.4 -31.0 72.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.396 -0.82 . . . . 73.44 111.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.87 -41.05 90.67 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.768 -0.773 . . . . 61.32 110.896 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.74 -39.78 92.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.246 -0.582 . . . . 73.11 112.536 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.97 -41.07 95.66 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.56 0.948 . . . . 73.02 113.56 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.71 74.25 59.14 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-O 118.742 -0.647 . . . . 75.33 112.15 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.3 -32.99 97.25 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 CA-C-N 121.268 1.489 . . . . 64.23 112.118 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.6 m -60.77 -36.73 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.391 0.615 . . . . 51.14 111.648 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.0 mm-40 -86.78 9.09 20.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.015 -0.993 . . . . 73.4 112.204 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.658 ' CB ' HE21 ' A' ' 10' ' ' GLN . 86.1 p -58.84 -31.38 68.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.68 -0.808 . . . . 32.1 112.182 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.03 95.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 118.058 -1.457 . . . . 65.21 109.171 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.52 -37.98 82.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.494 -0.775 . . . . 74.23 111.688 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.63 -35.96 81.26 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.023 0.44 . . . . 63.54 110.739 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.21 -39.99 80.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.855 -0.611 . . . . 71.41 110.48 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.55 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.073 -0.651 . . . . 53.05 112.288 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -35.8 82.33 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.503 0.927 . . . . 71.31 113.503 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.29 96.3 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 119.058 -1.057 . . . . 71.01 111.658 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.68 -37.65 84.89 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.326 -0.55 . . . . 75.31 110.294 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.98 -43.47 95.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.384 -0.825 . . . . 75.32 112.928 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.99 -37.75 88.4 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.14 -0.624 . . . . 73.34 110.736 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.671 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.9 t-20 -56.06 -41.76 75.56 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.488 -0.778 . . . . 30.55 112.558 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.23 -40.26 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.941 0.719 . . . . 73.25 112.941 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.13 91.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 115.136 1.532 . . . . 75.4 115.136 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 50.8 tt0 -59.57 -39.42 84.03 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.527 -0.869 . . . . 75.44 111.321 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.25 65.81 4.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 70.24 111.626 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.23 -23.93 48.03 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.01 1.806 . . . . 74.14 112.047 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.054 -0.974 . . . . 61.53 110.618 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 50.4 p30 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 76.1 t -60.68 -39.6 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 72.12 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.58 142.18 56.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 64.54 110.959 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' C ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -87.31 7.84 26.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 74.53 110.79 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' N ' HD22 ' A' ' 4' ' ' ASN . 47.3 mtmt -87.22 149.27 24.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.252 0.548 . . . . 65.43 111.267 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -132.98 164.66 26.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.299 -0.864 . . . . 73.01 109.831 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -98.15 139.27 34.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.148 0.499 . . . . 63.22 110.401 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -57.51 -37.25 72.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 72.4 111.148 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.63 -35.43 77.89 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.472 -0.891 . . . . 72.23 110.44 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.11 -38.94 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 74.4 109.723 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -58.09 -37.23 74.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.22 -0.9 . . . . 62.12 110.553 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.04 -38.28 70.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.589 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.0 85.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.931 -0.707 . . . . 71.52 110.419 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.45 -44.83 92.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.451 -0.5 . . . . 74.13 110.785 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -59.63 -37.97 80.08 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.532 0.938 . . . . 74.33 113.532 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.49 -35.28 78.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.203 -0.999 . . . . 74.21 110.249 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.21 -43.18 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 119.754 -0.778 . . . . 74.12 109.525 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.94 -36.67 84.21 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.3 0.571 . . . . 73.55 111.374 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.31 -44.54 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 114.397 1.258 . . . . 65.23 114.397 -176.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.564 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.9 mt -36.67 90.78 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.063 0 CA-C-O 119.388 -0.339 . . . . 54.01 111.633 -178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' HIS . 55.5 Cg_endo -65.18 -36.8 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 CA-C-N 120.426 1.188 . . . . 52.01 113.201 -177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 85.0 m-20 -59.24 -34.56 72.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.14 0.793 . . . . 64.41 113.14 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -95.27 142.77 27.29 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.74 1.015 . . . . 72.44 113.74 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.593 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -82.82 173.87 11.46 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.134 -0.939 . . . . 54.45 109.477 178.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.49 -34.0 74.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.347 1.24 . . . . 70.01 114.347 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.69 -37.34 86.08 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.642 -1.223 . . . . 73.0 112.424 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 24' ' ' ASN . 62.2 mt-30 -61.41 -36.31 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.776 -0.769 . . . . 64.43 110.761 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -58.83 -36.77 75.07 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.792 -0.64 . . . . 71.02 109.974 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -56.58 -39.03 72.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.751 -0.659 . . . . 75.34 111.495 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.01 -41.66 92.55 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 118.725 -1.703 . . . . 73.22 111.451 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -64.72 -40.6 95.62 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.865 0.691 . . . . 74.33 112.865 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.97 -42.92 91.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.248 -0.581 . . . . 53.33 111.915 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -61.16 -38.34 86.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.632 0.729 . . . . 62.52 110.614 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -61.75 -37.24 83.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.091 -0.644 . . . . 73.44 110.937 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.1 -41.06 91.75 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.088 1.144 . . . . 61.32 114.088 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.71 -37.9 85.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 118.639 -1.224 . . . . 73.11 111.233 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.04 -40.64 90.08 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.081 0.771 . . . . 73.02 113.081 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -134.78 74.81 63.62 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-O 118.906 -0.568 . . . . 75.33 111.649 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.08 -32.37 97.25 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 CA-C-N 121.02 1.4 . . . . 64.23 113.15 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.2 p -64.33 -30.76 71.8 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.267 0.556 . . . . 51.14 111.285 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.79 11.88 16.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.224 -0.898 . . . . 73.4 113.268 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.79 -30.58 65.79 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.084 -1.047 . . . . 32.1 109.8 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.34 95.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 118.97 -1.092 . . . . 65.21 110.142 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -60.22 -39.09 85.4 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 115.97 -0.559 . . . . 74.23 111.364 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.61 -36.45 83.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.614 -0.721 . . . . 63.54 111.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.3 tp -59.1 -39.37 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 71.41 112.02 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.11 88.73 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.935 -0.706 . . . . 53.05 110.902 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.8 -36.09 80.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.997 -1.001 . . . . 71.31 112.721 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.52 94.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.841 -0.744 . . . . 71.01 112.496 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -60.46 -40.86 92.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.752 -0.779 . . . . 75.31 110.818 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.2 -42.35 94.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.53 -0.759 . . . . 75.32 113.021 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.32 -37.88 84.85 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.72 -0.392 . . . . 73.34 111.477 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 20.1 t-20 -56.08 -39.47 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 30.55 112.273 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.33 -39.5 83.34 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.327 -0.549 . . . . 73.25 112.103 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.06 94.89 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.227 -0.589 . . . . 75.4 112.301 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -60.24 -36.91 78.82 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.762 0.791 . . . . 75.44 109.302 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . 52.24 174.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 114.344 -1.298 . . . . 70.24 109.897 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 42.3 Cg_exo -55.73 144.47 76.04 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.017 1.811 . . . . 74.14 111.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 22' ' ' ASN . 69.0 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.959 -1.019 . . . . 61.53 110.505 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.502 -0.555 . . . . 62.33 109.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 4' ' ' ASN . 13.7 p -131.66 143.25 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.786 -0.643 . . . . 72.12 110.377 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 55.3 t0 -55.29 -36.43 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 64.54 111.648 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 3' ' ' ASP . 9.2 p30 56.71 42.27 27.08 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.496 0.497 . . . . 74.53 111.062 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -74.19 135.06 42.77 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.1 -0.704 . . . . 65.43 109.1 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 97.9 m-85 -111.85 142.85 43.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.351 0.596 . . . . 73.01 111.563 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -100.19 129.09 46.17 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.04 -35.79 69.72 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.129 -0.629 . . . . 72.4 110.91 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.434 -0.906 . . . . 72.23 110.375 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.78 -37.49 79.23 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.993 -0.549 . . . . 74.4 111.167 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.16 -37.75 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 62.12 111.725 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -38.52 71.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.944 -0.702 . . . . 72.1 110.174 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.98 89.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.535 -0.466 . . . . 71.52 111.597 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -59.35 -45.78 90.45 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.526 -0.469 . . . . 74.13 111.318 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.408 ' CE3' HD12 ' A' ' 18' ' ' LEU . 96.6 m95 -60.73 -37.92 83.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.009 0.744 . . . . 74.33 113.009 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.72 -35.64 80.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.295 -0.962 . . . . 74.21 110.841 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.9 mm -60.4 -43.48 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.688 -0.805 . . . . 74.12 109.415 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CE3' ' A' ' 15' ' ' TRP . 55.2 mt -63.44 -37.17 86.26 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.823 -0.626 . . . . 73.55 111.69 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.1 t60 -59.7 -44.77 93.55 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 116.067 1.877 . . . . 65.23 116.067 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.0 mt -33.82 87.01 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.173 0 N-CA-C 112.587 0.588 . . . . 54.01 112.587 -176.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.1 Cg_endo -67.66 -36.24 19.79 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 120.823 1.015 . . . . 52.01 113.116 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 86.4 m-20 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.162 -0.926 . . . . 64.41 112.998 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -91.63 143.47 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.648 0.61 . . . . 72.44 112.648 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 26' ' ' GLU . 9.2 p30 -76.72 171.32 14.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.625 -0.88 . . . . 54.45 108.625 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.39 -34.72 77.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.564 0.95 . . . . 70.01 113.564 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 48.9 tp10 -61.84 -40.37 95.06 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.636 -1.226 . . . . 73.0 112.385 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.42 -36.99 84.11 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.97 -0.692 . . . . 64.43 111.143 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -57.13 -40.89 78.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.921 -1.036 . . . . 71.02 111.202 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.36 -38.07 79.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.039 -0.528 . . . . 75.34 112.391 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.68 -40.78 80.55 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 119.165 -1.493 . . . . 73.22 111.965 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.49 -39.5 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.647 -0.821 . . . . 74.33 112.081 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.03 -42.72 87.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 C-N-CA 120.088 -0.645 . . . . 53.33 112.564 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.38 -39.62 87.89 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.369 -1.332 . . . . 62.52 110.634 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.26 -31.8 72.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.177 -0.609 . . . . 73.44 111.407 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.15 -41.29 96.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.053 -0.659 . . . . 61.32 111.234 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.56 -42.26 98.58 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.927 -0.709 . . . . 73.11 111.931 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.04 -41.1 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.686 0.995 . . . . 73.02 113.686 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.45 74.97 65.06 Favored Pre-proline 0 N--CA 1.471 0.589 0 CA-C-O 118.85 -0.595 . . . . 75.33 111.881 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.79 -31.54 92.55 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 CA-C-N 121.153 1.447 . . . . 64.23 111.825 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -60.51 -36.36 78.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.314 0.578 . . . . 51.14 111.267 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 44' ' ' ASN . 96.8 mt-30 -86.15 11.0 12.83 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 113.751 1.019 . . . . 73.4 113.751 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -54.89 -34.94 63.58 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.358 -0.937 . . . . 32.1 109.723 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.91 98.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.183 -1.007 . . . . 65.21 110.338 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.1 m-20 -59.96 -38.58 82.91 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.101 -0.64 . . . . 74.23 110.261 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -35.56 80.86 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.223 -0.899 . . . . 63.54 111.002 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.02 -40.27 80.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.591 -0.732 . . . . 71.41 110.848 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.16 85.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.309 0.855 . . . . 53.05 113.309 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -36.12 83.0 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.77 1.026 . . . . 71.31 113.77 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.51 96.39 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 119.459 -0.897 . . . . 71.01 111.994 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -60.79 -40.43 92.63 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.355 -0.538 . . . . 75.31 111.356 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.77 -43.54 94.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.398 0.888 . . . . 75.32 113.398 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.76 -38.41 90.46 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.041 -0.664 . . . . 73.34 110.906 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 54.4 t-20 -57.01 -38.41 73.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.082 -0.963 . . . . 30.55 113.031 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -57.73 -39.98 78.57 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.767 -0.773 . . . . 73.25 112.31 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.19 88.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.671 -0.812 . . . . 75.4 111.616 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.63 -35.71 78.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.918 -0.583 . . . . 75.44 111.459 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -67.39 147.46 98.84 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 115.61 -0.723 . . . . 70.24 111.06 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.03 -22.64 56.44 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.695 1.596 . . . . 74.14 110.678 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.087 -0.958 . . . . 61.53 111.046 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.214 -0.661 . . . . 62.33 109.214 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.68 -40.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.12 110.466 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.12 138.88 54.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.507 -0.477 . . . . 64.54 110.642 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -87.57 5.78 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 74.53 111.366 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -89.89 139.97 30.07 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.464 0.649 . . . . 65.43 112.283 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -140.19 163.48 32.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.819 -1.082 . . . . 73.01 108.993 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -103.27 127.49 50.58 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.055 -0.72 . . . . 63.22 109.055 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -59.12 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.619 -0.433 . . . . 72.4 111.577 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.76 -36.88 80.03 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.123 -0.631 . . . . 72.23 110.55 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -59.29 -38.89 81.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 74.4 111.354 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.03 -39.79 79.22 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.305 -0.558 . . . . 62.12 111.667 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -58.4 -37.74 75.92 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.089 -0.644 . . . . 72.1 111.177 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.88 79.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 71.52 111.03 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.72 -45.19 90.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.517 -0.873 . . . . 74.13 108.775 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.39 -38.05 82.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.419 -0.809 . . . . 74.33 112.576 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.99 -37.69 80.39 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.996 -0.681 . . . . 74.21 111.272 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.56 -43.29 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 119.873 -0.731 . . . . 74.12 109.827 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.77 -36.76 84.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.517 -0.765 . . . . 73.55 112.129 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -59.75 -45.28 92.71 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 113.379 0.881 . . . . 65.23 113.379 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 14.2 mt -37.23 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.127 0 O-C-N 123.43 0.457 . . . . 54.01 111.98 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.11 -35.79 32.02 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 CA-C-N 120.26 1.129 . . . . 52.01 112.885 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.24 -33.57 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.207 -0.906 . . . . 64.41 113.044 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -91.1 143.56 26.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.685 0.624 . . . . 72.44 112.685 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.47 172.26 13.72 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.519 -0.919 . . . . 54.45 108.519 177.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.72 -35.19 77.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 114.323 1.231 . . . . 70.01 114.323 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.55 -39.87 92.63 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.897 -1.121 . . . . 73.0 112.552 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.564 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -61.99 -36.45 81.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.948 -0.701 . . . . 64.43 111.407 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -58.98 -37.61 77.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.296 -0.562 . . . . 71.02 110.532 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.04 -38.85 77.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.008 -0.542 . . . . 75.34 111.75 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -41.59 89.17 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 118.912 -1.614 . . . . 73.22 111.673 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.5 -39.75 94.38 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 119.65 -0.82 . . . . 74.33 112.533 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -58.46 -46.21 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 119.869 -0.732 . . . . 53.33 111.568 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.07 -38.29 88.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.406 0.622 . . . . 62.52 111.113 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.55 -37.02 79.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.452 -0.794 . . . . 73.44 111.153 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.4 -40.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.655 -0.702 . . . . 61.32 111.376 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -60.85 -41.77 96.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.231 -0.588 . . . . 73.11 111.872 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.66 -40.96 94.02 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.977 1.103 . . . . 73.02 113.977 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -135.07 73.98 64.03 Favored Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 118.855 -0.593 . . . . 75.33 112.011 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.6 -33.67 98.32 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 CA-C-N 121.064 1.416 . . . . 64.23 112.557 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -60.97 -37.38 82.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.416 0.627 . . . . 51.14 111.489 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -88.26 13.01 12.42 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.943 -1.026 . . . . 73.4 113.514 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.1 p -57.58 -30.42 65.26 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.087 -1.045 . . . . 32.1 110.041 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.47 95.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 118.911 -1.116 . . . . 65.21 110.118 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.51 -39.09 86.52 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.098 -0.501 . . . . 74.23 111.534 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.49 -36.61 84.35 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.744 -0.662 . . . . 63.54 111.356 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.0 -39.75 82.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.448 -0.796 . . . . 71.41 111.263 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.73 87.44 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.362 -0.535 . . . . 53.05 111.933 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.4 -35.09 79.77 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 113.32 0.859 . . . . 71.31 113.32 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.813 -0.755 . . . . 71.01 112.453 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.6 -39.08 86.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.809 -0.756 . . . . 75.31 112.178 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -60.98 -39.99 91.75 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.921 0.711 . . . . 75.32 112.921 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.83 -38.59 88.74 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.208 -0.597 . . . . 73.34 110.741 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.95 -39.81 75.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 30.55 111.656 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.36 -39.71 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.052 0.76 . . . . 73.25 113.052 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.11 89.46 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 119.629 -0.828 . . . . 75.4 112.234 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 57' ' ' ALA . 99.9 mm-40 -62.04 -35.63 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.799 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 56' ' ' GLN . . . 55.32 135.14 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.197 -0.911 . . . . 70.24 111.885 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.82 145.49 83.34 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.371 1.38 . . . . 74.14 111.483 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.02 -0.99 . . . . 61.53 110.531 -179.106 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.446 -0.575 . . . . 62.33 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -116.75 134.21 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.019 0.438 . . . . 72.12 110.472 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -70.0 143.71 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.818 -0.628 . . . . 64.54 111.652 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -85.7 7.75 22.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.529 -0.759 . . . . 74.53 110.877 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' NZ ' ' CE2' ' A' ' 6' ' ' PHE . 25.8 pttm -76.62 0.31 20.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 65.43 112.003 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' CE2' ' NZ ' ' A' ' 5' ' ' LYS . 99.4 m-85 -102.85 136.81 41.98 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.17 0.509 . . . . 73.01 110.336 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.63 142.92 31.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.575 -0.739 . . . . 63.22 110.873 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -57.88 -35.75 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 72.4 112.027 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.1 -35.96 80.28 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.309 -0.956 . . . . 72.23 110.582 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.01 -37.73 80.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.345 0.593 . . . . 74.4 110.303 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.34 -37.98 70.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 62.12 111.616 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.79 -39.18 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.151 -0.619 . . . . 72.1 110.901 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.11 86.06 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.411 -0.516 . . . . 71.52 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.24 -46.78 87.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 113.193 0.812 . . . . 74.13 113.193 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -59.41 -39.65 84.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.052 -0.659 . . . . 74.33 111.673 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.49 -34.92 77.82 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.893 0.701 . . . . 74.21 112.893 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.04 -42.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 119.408 -0.917 . . . . 74.12 110.388 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.8 -36.18 82.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.55 111.762 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.2 t60 -59.29 -44.65 92.49 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.306 1.224 . . . . 65.23 114.306 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 mt -34.98 88.24 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.124 0 N-CA-C 112.155 0.428 . . . . 54.01 112.155 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.61 -36.81 24.01 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 120.123 1.08 . . . . 52.01 113.102 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -59.01 -34.45 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.863 . . . . 64.41 112.95 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -93.87 142.1 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 72.44 112.503 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.582 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.3 171.16 14.54 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.695 -0.684 . . . . 54.45 109.818 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.27 -35.3 71.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.686 0.995 . . . . 70.01 113.686 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.12 -39.28 85.67 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 118.775 -1.17 . . . . 73.0 111.998 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.8 mt-30 -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.724 -0.79 . . . . 64.43 111.115 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.05 -37.84 77.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.086 -0.645 . . . . 71.02 110.434 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -57.9 -36.67 72.76 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.885 -0.726 . . . . 75.34 110.948 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.56 96.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 118.287 -1.911 . . . . 73.22 111.019 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.49 -46.75 65.87 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 119.544 -0.863 . . . . 74.33 113.018 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.3 mm -62.18 -46.83 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 C-N-CA 119.959 -0.697 . . . . 53.33 112.729 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -38.98 91.02 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.19 -1.004 . . . . 62.52 110.409 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -61.42 -37.42 83.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.399 -0.818 . . . . 73.44 111.111 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.76 -40.28 83.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.543 -0.753 . . . . 61.32 111.438 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -60.89 -42.44 97.99 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 119.723 -0.791 . . . . 73.11 111.364 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.41 -40.88 96.02 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.61 0.967 . . . . 73.02 113.61 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.56 73.72 67.29 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-O 118.944 -0.551 . . . . 75.33 112.273 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.52 -30.41 91.7 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 CA-C-N 121.002 1.394 . . . . 64.23 112.018 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -60.21 -36.24 77.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.4 0.619 . . . . 51.14 111.759 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.2 mm-40 -85.15 8.21 18.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.184 -0.917 . . . . 73.4 112.19 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -59.23 -31.4 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.904 -0.718 . . . . 32.1 112.266 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.79 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 118.149 -1.42 . . . . 65.21 109.334 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.39 -38.26 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.467 -0.788 . . . . 74.23 111.667 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -62.96 -36.36 83.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.295 -0.411 . . . . 63.54 111.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 71.41 111.059 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.66 88.32 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.851 -0.74 . . . . 53.05 112.297 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.96 -36.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.849 1.055 . . . . 71.31 113.849 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.74 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.758 1.022 . . . . 71.01 113.758 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -66.43 -39.29 88.85 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.515 -0.874 . . . . 75.31 111.436 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.96 -42.38 93.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 75.32 112.338 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.89 -38.56 88.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.42 -0.512 . . . . 73.34 110.894 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 52.0 t-20 -57.25 -38.71 74.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.478 -0.783 . . . . 30.55 112.865 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.08 -39.99 79.96 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.535 -0.866 . . . . 73.25 111.627 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.9 90.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.029 -0.668 . . . . 75.4 111.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.33 -36.16 79.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.6 -0.727 . . . . 75.44 111.736 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -70.81 134.26 86.01 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.168 -0.469 . . . . 70.24 111.483 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.9 -23.57 51.92 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 CA-C-N 120.239 1.121 . . . . 74.14 109.962 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.994 -1.003 . . . . 61.53 110.72 -179.513 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 51.2 p30 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.766 -0.457 . . . . 62.33 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 4' ' ' ASN . 13.2 p -131.71 143.8 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.008 -0.542 . . . . 72.12 110.214 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.09 -36.14 67.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.41 . . . . 64.54 111.893 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' H ' HG22 ' A' ' 2' ' ' VAL . 2.9 m120 -53.48 -32.55 50.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.021 -0.733 . . . . 74.53 109.021 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -64.35 141.02 58.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.895 -1.048 . . . . 65.43 109.755 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 134.22 45.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.303 0.573 . . . . 73.01 110.476 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -102.18 151.23 22.45 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.151 -0.931 . . . . 63.22 111.195 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -57.33 -35.65 70.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.08 -0.964 . . . . 72.4 110.435 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -66.3 -31.92 73.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 119.923 -0.711 . . . . 72.23 110.7 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.29 -38.32 79.9 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.513 0.673 . . . . 74.4 110.507 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -56.91 -37.84 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.508 -0.769 . . . . 62.12 109.635 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.97 -37.49 69.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.561 -0.745 . . . . 72.1 110.823 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 46' ' ' LEU . . . -61.02 -38.17 85.14 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 119.552 -0.859 . . . . 71.52 110.248 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -60.02 -47.63 85.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.378 -0.929 . . . . 74.13 112.177 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -60.09 -40.26 88.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.379 -0.828 . . . . 74.33 112.834 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.5 -34.94 77.88 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 113.114 0.783 . . . . 74.21 113.114 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -58.92 -43.32 88.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 119.018 -1.073 . . . . 74.12 109.642 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.22 -36.68 84.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 73.55 111.446 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.64 -44.47 93.51 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 114.62 1.341 . . . . 65.23 114.62 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 17.8 mt -35.26 89.05 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 112.066 0.395 . . . . 54.01 112.066 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.24 -36.23 29.13 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 CA-C-N 120.185 1.102 . . . . 52.01 112.564 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.565 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 84.5 m-20 -58.89 -34.19 71.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.093 -0.958 . . . . 64.41 112.694 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -91.77 146.27 23.9 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.622 0.971 . . . . 72.44 113.622 -175.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.474 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 21.0 p30 -77.24 172.16 13.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.306 -1.315 . . . . 54.45 109.615 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.73 -34.25 76.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.4 tt0 -59.67 -37.89 80.01 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.151 -0.62 . . . . 73.0 111.927 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -37.05 81.01 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.42 -0.512 . . . . 64.43 111.306 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.03 -38.54 79.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.661 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.72 -39.16 80.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.088 -0.645 . . . . 75.34 111.647 179.456 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.56 94.88 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 119.42 -1.371 . . . . 73.22 112.438 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.36 -40.35 95.67 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.773 -0.771 . . . . 74.33 112.303 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.92 -44.57 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.091 -0.643 . . . . 53.33 111.942 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.5 -38.97 89.26 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.068 -0.653 . . . . 62.52 111.299 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -66.48 -31.74 72.66 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.806 -0.758 . . . . 73.44 111.818 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -61.78 -41.48 97.77 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.276 0.843 . . . . 61.32 113.276 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -68.24 -38.5 81.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.084 -1.047 . . . . 73.11 111.655 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.18 -40.89 87.09 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 119.916 -0.714 . . . . 73.02 112.914 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.3 p30 -134.63 75.13 63.7 Favored Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.895 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.57 -30.94 93.4 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 CA-C-N 121.133 1.44 . . . . 64.23 112.384 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.22 -36.54 77.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.192 0.52 . . . . 51.14 111.703 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -86.87 10.52 15.89 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.76 1.022 . . . . 73.4 113.76 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.1 -29.71 65.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.174 -1.01 . . . . 32.1 109.619 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.15 96.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 118.842 -1.143 . . . . 65.21 109.49 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.39 -37.94 82.36 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.83 -0.623 . . . . 74.23 110.924 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.29 -36.14 81.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.573 -0.739 . . . . 63.54 110.73 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 13' ' ' ALA . 9.1 tt -58.37 -40.98 83.73 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.013 -0.675 . . . . 71.41 110.192 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.07 84.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.837 0.68 . . . . 53.05 112.837 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.87 -36.17 83.48 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.341 1.238 . . . . 71.31 114.341 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.65 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 118.989 -1.084 . . . . 71.01 112.731 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -61.59 -42.2 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.012 -0.675 . . . . 75.31 111.975 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.75 -42.56 97.65 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.554 0.946 . . . . 75.32 113.554 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.38 -38.35 86.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 73.34 111.069 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.515 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 55.5 t-20 -57.38 -39.89 77.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.469 1.285 . . . . 30.55 114.469 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.41 -40.69 91.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.295 -0.962 . . . . 73.25 112.234 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.94 74.06 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.943 1.46 . . . . 75.4 114.943 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -61.27 -41.39 96.85 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.745 -0.782 . . . . 75.44 112.101 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -134.48 76.43 61.66 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.616 -0.72 . . . . 70.24 110.548 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.14 140.11 86.58 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 CA-C-N 121.126 1.438 . . . . 74.14 110.709 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.978 -1.01 . . . . 61.53 110.594 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.827 -0.434 . . . . 62.33 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -131.5 142.97 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.451 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 64.54 110.718 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' N ' HD22 ' A' ' 4' ' ' ASN . 2.6 m120 -85.34 5.19 31.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 74.53 110.517 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -73.21 135.62 44.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 65.43 110.365 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -108.88 138.97 44.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.089 0.471 . . . . 73.01 110.951 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.43 127.92 46.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.674 -0.693 . . . . 63.22 109.575 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -57.24 -35.11 69.31 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.549 -0.46 . . . . 72.4 110.397 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.34 -34.85 77.45 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.13 -0.628 . . . . 72.23 110.235 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.31 -37.18 74.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.322 0.582 . . . . 74.4 110.707 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.08 -37.08 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.409 -0.814 . . . . 62.12 111.278 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.31 70.16 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.275 -0.57 . . . . 72.1 110.512 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -63.67 -39.54 94.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.026 -0.669 . . . . 71.52 110.599 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.6 -46.31 90.73 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 113.311 0.856 . . . . 74.13 113.311 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -58.88 -39.26 80.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.83 -0.623 . . . . 74.33 111.952 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.05 -34.17 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.781 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -58.41 -40.38 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.848 -0.797 . . . . 74.12 108.848 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.05 -36.63 82.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.348 0.594 . . . . 73.55 111.17 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.5 -43.65 93.29 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 116.596 2.073 . . . . 65.23 116.596 -175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.7 mt -32.35 86.0 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.369 0 N-CA-C 112.663 0.616 . . . . 54.01 112.663 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.9 Cg_endo -67.53 -35.38 23.08 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 120.762 0.975 . . . . 52.01 112.555 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 82.8 m-20 -58.64 -35.02 71.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.142 -0.935 . . . . 64.41 112.282 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -95.54 144.44 26.01 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.903 0.705 . . . . 72.44 112.903 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.574 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -76.62 173.65 11.33 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.601 -0.727 . . . . 54.45 109.681 178.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 75.1 mm-40 -61.52 -34.18 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.377 1.251 . . . . 70.01 114.377 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.85 -37.73 87.99 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 118.269 -1.372 . . . . 73.0 112.274 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' HD21 ' A' ' 24' ' ' ASN . 15.3 mm100 -61.91 -36.85 82.54 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.731 -0.788 . . . . 64.43 110.725 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 41.4 ttm180 -57.19 -41.1 78.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.302 -0.863 . . . . 71.02 111.22 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -59.99 -36.14 76.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 113.424 0.898 . . . . 75.34 113.424 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.54 92.22 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 117.68 -2.2 . . . . 73.22 110.717 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -67.12 -42.46 84.47 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 113.077 0.769 . . . . 74.33 113.077 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.33 -46.13 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 119.835 -0.746 . . . . 53.33 112.02 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.44 -37.87 85.14 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.654 -0.819 . . . . 62.52 110.377 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.21 -36.68 78.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.274 -0.875 . . . . 73.44 111.23 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.32 -39.91 80.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 61.32 110.873 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.64 95.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.32 -0.552 . . . . 73.11 111.79 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.88 -41.64 92.01 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.728 1.01 . . . . 73.02 113.728 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -136.67 74.93 51.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-O 118.964 -0.541 . . . . 75.33 111.652 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.02 -31.88 94.04 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 CA-C-N 121.06 1.414 . . . . 64.23 112.6 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.8 -37.64 82.64 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.218 0.532 . . . . 51.14 111.738 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.67 13.09 11.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 113.744 1.016 . . . . 73.4 113.744 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.51 -30.19 64.94 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.291 -0.964 . . . . 32.1 110.414 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.92 97.6 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.7 -1.2 . . . . 65.21 109.65 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.3 m-20 -60.31 -38.69 84.49 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.972 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.47 -36.13 82.73 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.598 -0.728 . . . . 63.54 111.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 13' ' ' ALA . 38.7 tp -58.36 -39.86 80.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.574 -0.739 . . . . 71.41 111.662 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.675 -0.81 . . . . 53.05 112.482 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.13 -35.35 80.83 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.249 0.833 . . . . 71.31 113.249 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.57 94.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.774 -0.771 . . . . 71.01 112.428 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.25 -40.27 89.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.041 -0.664 . . . . 75.31 111.194 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.07 -44.37 94.81 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.557 0.947 . . . . 75.32 113.557 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.64 -38.61 91.78 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.877 -0.729 . . . . 73.34 110.881 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.71 -40.33 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 30.55 111.513 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -59.59 -39.6 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.808 0.67 . . . . 73.25 112.808 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.96 90.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 114.484 1.29 . . . . 75.4 114.484 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -61.12 -41.24 96.34 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.18 -1.008 . . . . 75.44 112.013 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -134.12 79.9 55.05 Favored Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 116.158 -0.473 . . . . 70.24 109.977 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.11 138.73 62.9 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 CA-C-N 119.358 0.807 . . . . 74.14 111.508 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 61.53 110.484 -179.733 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.263 -0.643 . . . . 62.33 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -131.44 142.82 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 116.385 -0.37 . . . . 72.12 110.084 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 51.1 p30 -73.14 138.51 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.46 0.648 . . . . 64.54 111.182 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -56.64 -35.1 67.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 74.53 111.127 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -94.7 142.08 27.87 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.982 0.42 . . . . 65.43 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -120.32 153.77 35.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.901 -0.59 . . . . 73.01 110.123 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.56 134.32 47.94 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 109.365 -0.606 . . . . 63.22 109.365 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.32 -36.42 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.565 -0.454 . . . . 72.4 111.256 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -63.07 -35.21 79.49 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.136 -0.626 . . . . 72.23 110.756 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -58.38 -38.13 76.66 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 74.4 110.579 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -57.79 -38.65 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 62.12 110.877 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.85 -38.42 72.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.988 0.423 . . . . 72.1 110.744 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.63 83.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.922 -0.581 . . . . 71.52 111.194 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.91 -46.49 87.79 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 112.987 0.736 . . . . 74.13 112.987 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -59.46 -40.04 85.58 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.831 -0.747 . . . . 74.33 111.574 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.61 -34.46 77.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.918 -0.583 . . . . 74.21 112.469 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.59 -0.844 . . . . 74.12 109.785 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.16 -35.67 79.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 73.55 111.185 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.6 t60 -58.64 -44.93 90.23 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 113.801 1.037 . . . . 65.23 113.801 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 23' ' ' LEU . 16.2 mt -36.01 89.26 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.137 0 CA-C-O 119.283 -0.389 . . . . 54.01 111.465 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.4 Cg_endo -66.1 -39.41 18.64 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 CA-C-N 120.159 1.093 . . . . 52.01 113.206 -176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.698 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 86.0 m-20 -59.47 -33.77 71.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 64.41 113.015 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 20' ' ' LEU . 31.4 mt -90.82 143.27 26.89 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.629 -0.428 . . . . 72.44 111.63 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.589 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -81.93 173.1 12.54 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 109.164 -0.68 . . . . 54.45 109.164 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -61.51 -35.05 76.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.557 0.947 . . . . 70.01 113.557 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -39.18 89.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 119.393 -0.923 . . . . 73.0 112.788 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.9 mt-30 -61.54 -36.19 79.9 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.951 -0.7 . . . . 64.43 111.122 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.06 -36.78 75.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.38 -0.528 . . . . 71.02 110.081 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 20.3 t-20 -56.84 -39.29 73.97 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.699 -0.682 . . . . 75.34 111.624 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.38 -41.04 92.97 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 118.867 -1.635 . . . . 73.22 111.362 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.32 -40.69 96.43 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.141 0.793 . . . . 74.33 113.141 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mm -60.24 -46.54 94.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 119.747 -0.781 . . . . 53.33 112.053 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 mt-30 -62.21 -38.07 87.76 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.351 0.596 . . . . 62.52 111.542 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.33 -36.9 79.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 73.44 110.903 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.63 -40.83 84.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.992 -0.549 . . . . 61.32 111.812 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.34 -39.35 90.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.158 -1.017 . . . . 73.11 111.877 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -60.3 -41.58 93.69 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.235 0.828 . . . . 73.02 113.235 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 1.2 p30 -137.63 74.16 46.64 Favored Pre-proline 0 N--CA 1.469 0.509 0 CA-C-O 118.873 -0.584 . . . . 75.33 111.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.03 -31.79 93.81 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 CA-C-N 121.119 1.435 . . . . 64.23 112.201 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.189 0.519 . . . . 51.14 112.04 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 95.5 mm-40 -86.66 9.36 18.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.464 -0.789 . . . . 73.4 112.305 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 t -55.5 -36.64 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.976 -0.69 . . . . 32.1 112.15 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.18 97.82 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.312 -1.355 . . . . 65.21 109.897 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.552 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.7 m-20 -60.39 -38.01 82.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.878 -0.601 . . . . 74.23 111.721 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.16 -35.61 80.85 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.198 -0.455 . . . . 63.54 110.887 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.08 -39.81 79.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.63 -0.714 . . . . 71.41 110.617 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.13 92.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.927 -0.709 . . . . 53.05 111.79 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.69 -34.97 79.55 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.011 0.745 . . . . 71.31 113.011 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.46 97.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.607 -0.837 . . . . 71.01 112.204 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.61 -41.38 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.762 -0.775 . . . . 75.31 110.534 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.38 -43.11 96.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.242 -0.89 . . . . 75.32 113.226 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 tp -62.1 -38.61 89.53 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.277 0.561 . . . . 73.34 111.377 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.44 -40.45 74.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.445 -0.798 . . . . 30.55 111.267 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.11 -39.24 85.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.158 0.799 . . . . 73.25 113.158 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.5 92.02 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 113.866 1.061 . . . . 75.4 113.866 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' OE1' HD23 ' A' ' 23' ' ' LEU . 62.0 tt0 -61.09 -37.4 82.61 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.353 -0.939 . . . . 75.44 111.36 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.698 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -66.95 147.21 99.14 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.699 -0.682 . . . . 70.24 111.683 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.4 -23.04 68.63 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.053 1.835 . . . . 74.14 111.022 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.048 -0.977 . . . . 61.53 110.791 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 2' ' ' VAL . 51.1 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.867 -0.42 . . . . 62.33 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.3 m -70.04 -29.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.422 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.15 141.95 55.88 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.952 0.882 . . . . 64.54 110.537 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -87.05 6.6 31.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.874 -1.512 . . . . 74.53 111.358 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -75.61 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.569 -0.53 . . . . 65.43 109.569 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.81 163.51 29.65 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.993 0.425 . . . . 73.01 111.04 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.59 138.02 40.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.899 -0.591 . . . . 63.22 110.208 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -57.71 -37.86 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.014 -0.539 . . . . 72.4 110.461 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -62.54 -34.47 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.401 -0.52 . . . . 72.23 110.355 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.03 -38.93 77.16 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.732 -0.387 . . . . 74.4 110.984 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.69 -38.83 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.278 -0.569 . . . . 62.12 110.324 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -57.18 -37.64 72.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 72.1 110.802 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.54 81.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.048 -0.524 . . . . 71.52 110.714 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.98 -46.4 88.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 112.795 0.665 . . . . 74.13 112.795 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -58.93 -40.07 83.52 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.646 -0.822 . . . . 74.33 112.03 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.86 -35.12 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.536 0.569 . . . . 74.21 112.536 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.28 -43.84 90.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 119.56 -0.856 . . . . 74.12 110.83 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -64.15 -36.27 83.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.548 0.573 . . . . 73.55 112.548 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.5 t60 -59.21 -44.21 92.27 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 114.703 1.372 . . . . 65.23 114.703 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 22.8 mt -33.39 86.02 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 N-CA-C 113.076 0.769 . . . . 54.01 113.076 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 73.2 Cg_endo -68.57 -34.59 19.29 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 120.983 1.122 . . . . 52.01 112.821 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 85.1 m-20 -58.39 -33.79 70.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.695 -1.139 . . . . 64.41 113.049 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.665 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -90.66 145.01 25.18 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.952 0.723 . . . . 72.44 112.952 -177.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -76.9 169.07 18.99 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 115.307 -0.861 . . . . 54.45 110.521 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.34 -37.25 77.35 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.426 1.269 . . . . 70.01 114.426 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.59 -38.63 88.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 118.883 -1.127 . . . . 73.0 111.321 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.579 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.0 tp60 -60.51 -38.76 85.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 64.43 111.514 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.474 HH21 HD13 ' A' ' 18' ' ' LEU . 39.0 mmm-85 -58.44 -38.8 78.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.661 -0.7 . . . . 71.02 109.784 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.65 -39.24 83.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.382 0.882 . . . . 75.34 113.382 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.35 -42.45 93.65 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 119.188 -1.482 . . . . 73.22 112.929 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.76 -39.97 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.429 0.9 . . . . 74.33 113.429 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.86 -48.06 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 119.434 -0.906 . . . . 53.33 112.538 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -62.53 -38.16 88.91 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.763 -0.775 . . . . 62.52 111.79 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.64 -37.34 81.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.611 -0.722 . . . . 73.44 112.011 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -59.08 -40.82 86.43 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 119.993 -0.683 . . . . 61.32 111.491 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -61.61 -39.32 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.049 -0.661 . . . . 73.11 112.711 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.69 -41.2 94.67 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.816 1.043 . . . . 73.02 113.816 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -136.46 74.97 52.6 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 118.856 -0.592 . . . . 75.33 111.962 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.11 -31.07 92.33 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 CA-C-N 121.264 1.487 . . . . 64.23 112.101 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 m -60.44 -37.3 80.51 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.163 0.506 . . . . 51.14 111.6 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.1 mt-30 -87.45 10.82 16.34 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.352 0.871 . . . . 73.4 113.352 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -58.11 -30.12 66.03 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.352 -0.939 . . . . 32.1 109.548 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.76 97.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.008 -1.077 . . . . 65.21 109.66 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.4 m-20 -60.24 -38.22 82.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.934 -0.575 . . . . 74.23 110.757 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.14 -36.19 82.8 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.456 -0.793 . . . . 63.54 110.912 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 46' ' ' LEU . 9.5 tt -58.82 -40.47 84.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.74 -0.664 . . . . 71.41 111.401 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.91 82.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.594 -0.842 . . . . 53.05 112.378 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.99 -36.57 83.65 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 113.69 0.996 . . . . 71.31 113.69 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.86 81.31 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.05 -1.06 . . . . 71.01 111.494 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.59 -41.61 97.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.519 0.676 . . . . 75.31 110.558 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -60.22 -42.45 95.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.785 -1.098 . . . . 75.32 112.584 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.63 -38.5 87.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.361 -0.536 . . . . 73.34 110.757 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.98 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.458 -0.792 . . . . 30.55 112.48 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.31 -39.75 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 73.25 112.89 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.15 79.74 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 113.733 1.012 . . . . 75.4 113.733 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 62.0 tt0 -61.33 -37.76 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.024 -0.67 . . . . 75.44 111.43 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -126.09 81.11 67.11 Favored Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.525 -0.762 . . . . 70.24 112.22 -177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.49 -17.76 13.39 Favored 'Trans proline' 0 C--N 1.297 -2.18 0 C-N-CA 121.818 1.679 . . . . 74.14 110.017 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.989 . . . . 61.53 111.553 -179.669 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.365 -0.605 . . . . 62.33 109.365 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.73 -39.72 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.819 -0.628 . . . . 72.12 110.585 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -67.98 140.75 56.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.982 0.42 . . . . 64.54 110.616 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -86.59 5.31 36.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.875 -0.602 . . . . 74.53 111.327 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -90.48 139.36 30.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.245 0.545 . . . . 65.43 111.557 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -140.43 164.34 30.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.332 -0.849 . . . . 73.01 109.818 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -99.65 134.1 43.02 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.491 -0.559 . . . . 63.22 109.491 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -58.7 -37.62 76.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.144 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.16 -36.84 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.014 -0.674 . . . . 72.23 110.451 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.496 HE21 HD11 ' A' ' 35' ' ' LEU . 49.7 tt0 -59.34 -38.41 80.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 74.4 111.639 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -57.59 -39.38 76.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 62.12 112.582 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -39.1 77.07 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.656 0.741 . . . . 72.1 109.874 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' ' 46' ' ' LEU . . . -63.92 -36.7 84.81 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.818 -1.083 . . . . 71.52 111.667 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.39 -45.38 91.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 74.13 111.772 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.671 0.989 . . . . 74.33 113.671 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.02 -35.44 80.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 118.821 -1.152 . . . . 74.21 111.217 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -60.46 -42.63 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 119.782 -0.767 . . . . 74.12 109.629 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.29 -36.47 82.21 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.916 -0.584 . . . . 73.55 111.048 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.02 -44.4 91.73 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.248 1.203 . . . . 65.23 114.248 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 23' ' ' LEU . 18.7 mt -35.43 88.71 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.225 0 CA-C-O 119.507 -0.282 . . . . 54.01 111.565 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -65.92 -35.93 33.08 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.022 1.044 . . . . 52.01 113.275 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 83.4 m-20 -59.06 -34.97 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 64.41 113.074 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 53' ' ' ASN . 5.5 mp -95.3 145.95 24.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.147 1.166 . . . . 72.44 114.147 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 20.5 p30 -77.35 171.71 14.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.173 -1.376 . . . . 54.45 109.774 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.14 -34.98 74.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.085 -0.507 . . . . 70.01 112.242 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 84.5 tt0 -59.35 -38.0 79.29 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.872 -0.731 . . . . 73.0 112.303 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.03 -36.85 80.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.086 -0.646 . . . . 64.43 110.975 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.26 -37.77 78.42 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.834 -0.621 . . . . 71.02 110.198 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.4 -39.57 76.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.968 -0.56 . . . . 75.34 112.149 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.83 -42.06 94.38 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 118.596 -1.764 . . . . 73.22 111.574 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.24 -40.12 93.6 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.275 0.843 . . . . 74.33 113.275 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.31 -42.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.02 -0.672 . . . . 53.33 111.819 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -60.99 -38.24 85.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.858 0.837 . . . . 62.52 110.665 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.4 p -65.8 -30.39 71.02 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.051 -0.66 . . . . 73.44 111.25 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD11 HE21 ' A' ' 10' ' ' GLN . 26.6 tp -60.53 -41.81 95.22 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 113.397 0.888 . . . . 61.32 113.397 -177.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.79 -36.62 78.49 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.35 -0.94 . . . . 73.11 112.04 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.72 -41.22 85.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.428 0.899 . . . . 73.02 113.428 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -136.72 74.72 51.47 Favored Pre-proline 0 N--CA 1.476 0.862 0 CA-C-O 119.043 -0.503 . . . . 75.33 111.64 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.08 -32.85 98.14 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 CA-C-N 121.149 1.446 . . . . 64.23 113.343 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.53 -38.21 83.7 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.429 0.633 . . . . 51.14 111.096 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -89.26 11.7 18.13 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.017 -0.992 . . . . 73.4 112.994 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -57.56 -30.55 65.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.18 -1.008 . . . . 32.1 109.933 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.34 95.58 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.992 -1.083 . . . . 65.21 110.117 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.55 -39.18 87.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.018 -0.537 . . . . 74.23 111.702 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.1 -36.89 85.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.753 -0.658 . . . . 63.54 111.106 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' HB1' ' A' ' 13' ' ' ALA . 43.2 tp -59.65 -38.99 82.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.006 -0.997 . . . . 71.41 112.019 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.73 85.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.126 -0.63 . . . . 53.05 111.596 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.05 -34.54 78.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.826 0.676 . . . . 71.31 112.826 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.965 0.728 . . . . 71.01 112.965 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.12 -41.22 92.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.636 -0.826 . . . . 75.31 111.176 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -60.86 -39.22 88.36 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.878 0.696 . . . . 75.32 112.878 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.07 -38.09 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.067 0.46 . . . . 73.34 110.943 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HA ' HD11 ' A' ' 23' ' ' LEU . 57.2 t-20 -56.81 -40.25 75.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.702 1.001 . . . . 30.55 113.702 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.13 -40.1 88.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.753 -0.779 . . . . 73.25 112.564 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.43 82.67 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 115.321 1.6 . . . . 75.4 115.321 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -62.29 -39.56 93.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.126 -1.03 . . . . 75.44 112.285 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -137.48 77.9 39.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.81 -0.632 . . . . 70.24 110.389 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.33 138.89 73.54 Favored 'Trans proline' 0 C--N 1.295 -2.288 0 CA-C-N 119.894 0.998 . . . . 74.14 110.947 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.911 -1.042 . . . . 61.53 110.482 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.328 -0.619 . . . . 62.33 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -57.05 -34.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.507 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.32 142.41 56.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.113 0.959 . . . . 64.54 111.056 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.525 ' O ' ' CE2' ' A' ' 6' ' ' PHE . 43.8 p-10 -86.99 7.73 26.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.488 -1.687 . . . . 74.53 111.016 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.34 136.47 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.692 -0.686 . . . . 65.43 110.336 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 4' ' ' ASN . 95.9 m-85 -118.01 154.7 31.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.537 -0.912 . . . . 73.01 108.537 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -76.03 166.94 22.75 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.449 -0.9 . . . . 63.22 109.7 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -62.05 -40.01 94.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.528 0.936 . . . . 72.4 113.528 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.79 -37.81 88.88 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.247 -0.981 . . . . 72.23 112.434 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.76 -38.12 86.82 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.748 0.647 . . . . 74.4 112.748 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.94 -39.34 74.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.291 -0.564 . . . . 62.12 111.53 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.46 -39.67 76.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.2 -0.6 . . . . 72.1 111.137 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HA ' HD13 ' A' ' 46' ' ' LEU . . . -64.36 -36.83 85.41 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.906 -0.588 . . . . 71.52 112.132 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.09 -45.74 90.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.578 -0.449 . . . . 74.13 111.835 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -60.99 -38.51 86.27 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.53 0.937 . . . . 74.33 113.53 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.17 -36.12 82.58 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.554 -0.858 . . . . 74.21 111.721 -177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -60.79 -42.62 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 119.611 -0.836 . . . . 74.12 109.318 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.08 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 73.55 111.512 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.1 t-80 -59.92 -44.84 94.06 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 116.829 2.159 . . . . 65.23 116.829 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -33.18 85.43 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.406 0 N-CA-C 112.855 0.687 . . . . 54.01 112.855 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' HIS . 61.7 Cg_endo -67.72 -35.57 21.49 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 120.749 0.966 . . . . 52.01 113.281 -177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.734 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 86.7 m-20 -58.89 -36.63 74.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.093 0.775 . . . . 64.41 113.093 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -94.27 146.12 24.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.297 0.851 . . . . 72.44 113.297 -178.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.553 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -73.28 172.24 11.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.746 -1.115 . . . . 54.45 110.66 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -34.29 75.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.251 1.204 . . . . 70.01 114.251 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.04 -36.96 85.3 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 118.509 -1.276 . . . . 73.0 111.507 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 65.9 tp60 -60.33 -39.74 88.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.571 0.7 . . . . 64.43 110.35 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.32 -40.25 77.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.636 -1.165 . . . . 71.02 111.337 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -58.4 -38.32 77.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.552 0.575 . . . . 75.34 112.552 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.73 -42.27 91.15 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 119.0 -1.571 . . . . 73.22 112.859 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.68 -40.44 95.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.904 0.852 . . . . 74.33 113.192 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.95 -43.72 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 119.788 -0.765 . . . . 53.33 112.368 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -60.71 -39.13 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.047 -1.061 . . . . 62.52 110.078 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 m -61.89 -37.86 86.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.682 -0.69 . . . . 73.44 111.172 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.7 -41.0 89.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.78 -0.646 . . . . 61.32 111.761 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.589 -0.844 . . . . 73.11 111.877 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -60.02 -41.3 91.88 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.991 1.108 . . . . 73.02 113.991 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' OD2' ' OE1' ' A' ' 41' ' ' GLN . 19.0 t0 -135.57 74.8 58.79 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-O 118.995 -0.526 . . . . 75.33 111.939 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.28 -31.61 94.08 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 CA-C-N 121.046 1.409 . . . . 64.23 112.411 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -60.44 -37.63 81.53 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.265 0.555 . . . . 51.14 111.551 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' OE1' ' OD2' ' A' ' 38' ' ' ASP . 97.0 mt-30 -87.63 12.08 13.5 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.43 0.9 . . . . 73.4 113.43 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -57.67 -30.46 65.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.17 -1.012 . . . . 32.1 109.949 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.96 96.87 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 118.979 -1.088 . . . . 65.21 109.914 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.48 -38.98 85.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.013 -0.54 . . . . 74.23 111.13 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.67 -36.5 84.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.572 -0.74 . . . . 63.54 111.052 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' ALA . 39.3 tp -58.82 -39.83 82.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.345 -0.843 . . . . 71.41 112.196 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.22 90.42 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.303 -0.959 . . . . 53.05 112.773 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.27 -36.74 83.76 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.922 0.712 . . . . 71.31 112.922 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.9 93.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 113.513 0.931 . . . . 71.01 113.513 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -60.51 -42.64 96.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.628 -0.829 . . . . 75.31 112.111 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -61.31 -40.07 92.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.313 0.857 . . . . 75.32 113.313 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 tp -62.04 -39.66 93.08 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.016 -0.674 . . . . 73.34 111.943 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -58.18 -40.17 80.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.84 -0.744 . . . . 30.55 110.167 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.48 -38.86 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.252 -0.886 . . . . 73.25 112.993 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.3 95.33 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.419 0.896 . . . . 75.4 113.419 -176.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' OE1' ' O ' ' A' ' 22' ' ' ASN . 46.2 tt0 -61.02 -37.83 83.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 118.961 -1.096 . . . . 75.44 109.472 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.734 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -125.98 80.58 67.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 114.698 -1.137 . . . . 70.24 110.143 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' LYS . 52.8 Cg_exo -54.4 -18.56 15.0 Favored 'Trans proline' 0 C--N 1.302 -1.918 0 C-N-CA 122.231 1.954 . . . . 74.14 111.491 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' PRO . 98.8 mttt . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 118.016 -0.993 . . . . 61.53 112.144 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 50.3 p30 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.718 -0.475 . . . . 62.33 109.718 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 t 38.42 90.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.126 0.489 . . . . 72.12 110.639 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.12 144.81 55.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.354 -0.839 . . . . 64.54 112.462 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -54.99 -31.74 61.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.545 -0.909 . . . . 74.53 108.545 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.63 161.68 30.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.612 -1.176 . . . . 65.43 109.627 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.01 138.31 36.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 73.01 110.049 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -88.09 146.27 25.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.52 -0.764 . . . . 63.22 110.308 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -57.27 -38.98 74.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 72.4 111.824 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.01 -37.4 79.59 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.113 -1.035 . . . . 72.23 110.169 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -39.5 85.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.382 -0.527 . . . . 74.4 110.971 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -58.79 -38.94 79.69 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.713 -0.676 . . . . 62.12 110.97 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.98 -38.69 73.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.964 -0.562 . . . . 72.1 111.22 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.84 81.66 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.271 -0.422 . . . . 71.52 111.427 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.61 -44.99 90.11 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.99 -0.684 . . . . 74.13 109.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -60.14 -36.73 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.802 -0.636 . . . . 74.33 112.607 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.22 -35.84 80.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 119.76 -0.776 . . . . 74.21 111.421 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -60.54 -44.3 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.187 -1.005 . . . . 74.12 108.963 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.41 -36.9 85.24 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.093 -0.958 . . . . 73.55 112.427 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.7 t60 -59.61 -45.82 90.79 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.892 1.441 . . . . 65.23 114.892 -176.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 9.9 mt -37.28 88.97 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.117 0 N-CA-C 112.982 0.734 . . . . 54.01 112.982 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 58.0 Cg_endo -66.49 -36.09 27.73 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 120.629 1.26 . . . . 52.01 112.372 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.599 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 87.6 m-20 -59.13 -35.2 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.654 -1.157 . . . . 64.41 114.021 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -92.95 145.23 24.53 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.148 0.796 . . . . 72.44 113.148 -176.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -74.3 171.31 13.89 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.609 -1.178 . . . . 54.45 110.173 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE2' ' NH1' ' A' ' 28' ' ' ARG . 76.9 mm-40 -62.3 -35.26 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.641 0.978 . . . . 70.01 113.641 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.2 -38.39 86.39 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.104 -1.038 . . . . 73.0 111.657 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.3 tp60 -59.83 -40.17 87.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.351 0.596 . . . . 64.43 110.714 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 97.7 mtt180 -59.96 -37.89 80.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.897 -1.047 . . . . 71.02 111.174 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -39.06 78.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.883 -0.598 . . . . 75.34 111.418 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.22 95.37 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 119.582 -1.294 . . . . 73.22 112.354 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.13 -40.06 95.38 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 119.166 -1.014 . . . . 74.33 112.088 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -58.79 -49.48 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 119.547 -0.861 . . . . 53.33 111.71 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.35 -39.24 93.99 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 119.918 -0.713 . . . . 62.52 111.363 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -61.24 -38.35 86.36 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.62 -0.718 . . . . 73.44 111.387 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.38 -40.44 86.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 61.32 111.452 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.13 -42.13 97.97 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.248 -0.581 . . . . 73.11 111.741 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.66 -41.59 95.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.905 1.076 . . . . 73.02 113.905 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 21.2 p-10 -134.58 73.4 67.94 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-O 118.995 -0.526 . . . . 75.33 112.308 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.87 -29.74 91.01 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 CA-C-N 120.927 1.367 . . . . 64.23 111.77 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -59.95 -37.15 78.73 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.161 0.505 . . . . 51.14 111.379 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' CB ' HD22 ' A' ' 44' ' ' ASN . 96.9 mt-30 -87.75 9.11 22.72 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.021 0.749 . . . . 73.4 113.021 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 t -55.06 -35.3 64.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.432 -0.907 . . . . 32.1 109.692 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.5 99.59 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.815 -1.154 . . . . 65.21 109.817 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.4 HD22 ' CB ' ' A' ' 41' ' ' GLN . 83.0 m-20 -60.64 -39.17 87.31 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.207 -0.597 . . . . 74.23 110.906 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.01 -36.6 84.53 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.251 -0.886 . . . . 63.54 112.034 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -40.38 85.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.595 -0.842 . . . . 71.41 110.241 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.85 86.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.699 -0.8 . . . . 53.05 110.296 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -62.04 -37.43 84.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.582 -1.19 . . . . 71.31 112.612 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 119.321 -0.952 . . . . 71.01 111.375 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.48 -40.17 93.6 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.038 -0.665 . . . . 75.31 112.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -61.32 -39.56 90.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.096 -0.641 . . . . 75.32 112.293 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.43 -39.62 91.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 119.735 -0.786 . . . . 73.34 110.835 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.27 -42.36 86.35 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.538 0.57 . . . . 30.55 112.538 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -63.18 -42.61 99.39 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 113.741 1.015 . . . . 73.25 113.741 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.12 49.82 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.581 0.956 . . . . 75.4 113.581 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.73 -38.94 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.423 0.63 . . . . 75.44 110.783 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.599 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -128.25 80.3 72.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 114.861 -1.063 . . . . 70.24 111.456 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.14 -22.14 24.52 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 121.591 1.527 . . . . 74.14 109.844 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.963 -1.018 . . . . 61.53 111.144 178.477 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.322 -0.622 . . . . 62.33 109.322 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.78 135.31 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.389 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.17 114.44 21.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.121 0.486 . . . . 64.54 110.001 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 79.8 m-20 -89.71 4.36 49.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 114.395 1.257 . . . . 74.53 114.395 -178.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -59.15 -36.53 75.42 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.592 -1.243 . . . . 65.43 112.702 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 9' ' ' GLU . 97.7 m-85 -60.96 -40.16 92.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 120.05 -0.66 . . . . 73.01 112.689 -178.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 4' ' ' ASN . 3.7 m120 15.99 -102.87 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.279 1.215 . . . . 63.22 114.279 179.109 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.65 -39.68 81.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 118.73 -1.188 . . . . 72.4 109.615 -177.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 6' ' ' PHE . 47.0 tp10 -62.33 -37.4 85.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.455 -0.898 . . . . 72.23 108.706 176.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.96 -40.56 89.47 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.378 1.085 . . . . 74.4 109.367 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -59.0 -39.38 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.189 -1.369 . . . . 62.12 111.223 -179.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.64 ' C ' HD22 ' A' ' 12' ' ' ASN . 0.1 OUTLIER -61.56 -33.29 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.345 -0.542 . . . . 72.1 111.009 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -61.38 -37.01 81.85 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 119.625 -0.83 . . . . 71.52 110.367 -178.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.2 -45.45 91.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 118.523 -1.271 . . . . 74.13 109.074 177.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.56 -37.52 81.51 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.935 1.087 . . . . 74.33 113.935 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.42 -35.36 79.0 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 119.411 -0.916 . . . . 74.21 111.476 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.27 -43.13 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.285 -0.966 . . . . 74.12 108.939 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.15 -37.2 86.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 73.55 112.214 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 58.3 t-80 -60.33 -45.51 93.17 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.946 1.461 . . . . 65.23 114.946 -176.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 10.7 mt -35.42 88.31 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 112.785 0.661 . . . . 54.01 112.785 -177.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -67.31 -35.1 25.19 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 119.935 1.013 . . . . 52.01 112.554 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' ND2' ' CB ' ' A' ' 57' ' ' ALA . 85.2 m-20 -58.73 -34.27 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.749 -1.114 . . . . 64.41 112.488 -179.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.77 144.13 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.482 0.549 . . . . 72.44 112.482 -176.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.611 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.67 171.76 14.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.56 -0.904 . . . . 54.45 108.56 178.175 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.97 -35.11 77.51 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.162 1.171 . . . . 70.01 114.162 -177.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.63 -40.06 93.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 118.846 -1.142 . . . . 73.0 112.873 -177.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.566 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.7 mt-30 -62.05 -37.08 83.62 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.748 -0.781 . . . . 64.43 111.232 178.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.39 -37.58 78.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.758 -0.656 . . . . 71.02 110.788 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.95 -38.53 76.17 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.393 -0.523 . . . . 75.34 111.756 179.28 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.24 -40.62 84.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.05 -1.547 . . . . 73.22 111.628 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -63.92 -40.81 97.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.607 -0.837 . . . . 74.33 112.517 177.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.97 -47.53 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 C-N-CA 119.62 -0.832 . . . . 53.33 111.711 -178.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.5 mt-30 -62.55 -38.96 92.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 62.52 111.643 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -61.26 -37.72 84.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.677 -0.692 . . . . 73.44 111.699 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.17 -40.3 85.2 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.881 -0.6 . . . . 61.32 111.553 -178.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.64 -39.68 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.91 -0.716 . . . . 73.11 111.612 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 t70 -60.71 -41.24 94.86 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.746 1.017 . . . . 73.02 113.746 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 37' ' ' ASP . 16.0 m-20 -135.17 73.74 63.94 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.999 -0.524 . . . . 75.33 112.038 -179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.72 -32.7 97.48 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 CA-C-N 120.915 1.363 . . . . 64.23 113.389 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -64.58 -29.83 70.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.327 0.584 . . . . 51.14 111.082 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -87.4 8.85 22.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.014 -0.993 . . . . 73.4 112.353 -179.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.5 p -58.44 -31.43 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.544 -0.862 . . . . 32.1 112.019 -176.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . . . -65.15 -42.75 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.204 -1.398 . . . . 65.21 110.075 178.307 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.6 m-20 -60.81 -38.56 85.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.771 -0.65 . . . . 74.23 111.881 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.45 -35.97 82.19 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.15 -0.477 . . . . 63.54 111.042 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 13' ' ' ALA . 34.1 tp -57.95 -40.15 79.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.708 -0.678 . . . . 71.41 110.969 -177.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.79 89.13 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.941 -0.704 . . . . 53.05 111.828 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.86 -35.41 81.03 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 113.328 0.862 . . . . 71.31 113.328 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.04 97.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 119.216 -0.994 . . . . 71.01 112.137 -177.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.39 -38.71 88.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.831 -0.748 . . . . 75.31 111.117 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.63 -42.45 96.93 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.979 0.733 . . . . 75.32 112.979 -178.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.4 tp -61.61 -38.18 86.68 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.299 -0.56 . . . . 73.34 110.636 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.41 -40.2 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 30.55 111.701 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.59 -40.22 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.937 1.088 . . . . 73.25 113.937 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.9 77.4 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.483 -0.887 . . . . 75.4 112.533 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.32 -35.49 79.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.781 0.801 . . . . 75.44 110.023 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -126.68 83.88 64.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 114.235 -1.348 . . . . 70.24 111.485 -177.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.92 -19.69 11.76 Favored 'Trans proline' 0 C--N 1.301 -1.97 0 C-N-CA 121.231 1.288 . . . . 74.14 108.968 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--O 1.221 -0.443 0 CA-C-N 114.823 -1.08 . . . . 61.53 111.337 177.998 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 t0 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.431 -0.581 . . . . 62.33 109.431 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.66 143.12 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.106 -0.497 . . . . 72.12 110.43 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.77 140.86 56.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.177 0.989 . . . . 64.54 110.991 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -88.52 6.6 37.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.633 -1.621 . . . . 74.53 112.384 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.33 -35.38 71.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 65.43 110.434 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.06 155.5 32.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.855 -0.611 . . . . 73.01 110.44 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.78 137.57 39.0 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.346 -0.613 . . . . 63.22 109.346 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -58.15 -36.4 72.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 72.4 111.264 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.35 -32.65 73.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.616 -0.833 . . . . 72.23 111.184 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -59.07 -38.39 79.3 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.593 -0.443 . . . . 74.4 110.494 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.07 -38.91 77.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 62.12 110.65 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -56.73 -38.79 72.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.714 -0.675 . . . . 72.1 110.817 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.65 87.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.346 -0.542 . . . . 71.52 111.648 -178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.02 -46.84 87.18 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.204 0.816 . . . . 74.13 113.204 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -59.48 -40.52 87.23 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.627 -0.829 . . . . 74.33 111.728 -176.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.32 -35.34 80.04 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.238 0.829 . . . . 74.21 113.238 -177.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.04 -45.19 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.552 -0.859 . . . . 74.12 110.93 -178.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.59 -35.91 82.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.42 0.526 . . . . 73.55 112.42 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' PRO . 58.2 t-80 -58.63 -44.6 90.06 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 114.526 1.306 . . . . 65.23 114.526 -176.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' A' ' 28' ' ' ARG . 23.1 mt -34.41 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.23 0 O-C-N 123.447 0.467 . . . . 54.01 111.338 -178.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' HIS . 60.8 Cg_endo -66.68 -37.62 20.85 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 121.362 1.375 . . . . 52.01 115.253 -175.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.71 -33.77 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.443 0.534 . . . . 64.41 112.443 -179.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' CB ' HH21 ' A' ' 28' ' ' ARG . 47.9 mt -91.79 143.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 72.44 111.818 -176.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.677 ' ND2' ' H ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -79.25 167.75 20.51 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.82 -0.627 . . . . 54.45 111.224 -178.778 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.34 -35.87 74.64 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.388 0.884 . . . . 70.01 113.388 -178.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.545 ' N ' HD22 ' A' ' 24' ' ' ASN . 48.8 tp10 -60.07 -38.24 82.28 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 118.719 -1.193 . . . . 73.0 110.556 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.677 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.3 mt-30 -61.08 -35.98 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.857 178.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.693 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.13 -37.89 78.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.792 -0.64 . . . . 71.02 110.054 -177.751 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.76 -38.76 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 75.34 112.085 178.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.47 -42.47 89.8 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 118.839 -1.648 . . . . 73.22 112.224 -177.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -65.13 -38.97 92.34 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 119.533 -0.867 . . . . 74.33 112.681 177.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.96 -46.8 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 119.671 -0.812 . . . . 53.33 111.706 -177.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.3 -38.84 90.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.411 0.624 . . . . 62.52 110.977 -178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.18 -37.97 84.81 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.356 -0.838 . . . . 73.44 111.948 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.38 -40.04 85.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.947 -0.569 . . . . 61.32 111.275 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.85 -41.86 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.278 -0.569 . . . . 73.11 111.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.0 -41.59 92.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.834 1.05 . . . . 73.02 113.834 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.9 74.16 51.5 Favored Pre-proline 0 N--CA 1.473 0.709 0 CA-C-O 119.271 -0.395 . . . . 75.33 111.915 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -31.43 94.83 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 CA-C-N 120.869 1.346 . . . . 64.23 113.187 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -60.45 -36.72 78.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.246 0.546 . . . . 51.14 112.3 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.7 mm-40 -86.95 9.88 18.06 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.371 -0.832 . . . . 73.4 112.77 -178.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -31.22 67.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.796 -0.762 . . . . 32.1 112.565 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.97 95.59 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.246 -1.381 . . . . 65.21 109.701 178.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 85.2 m-20 -60.31 -37.87 81.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.511 -0.768 . . . . 74.23 111.389 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.97 -35.43 80.14 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.11 -0.495 . . . . 63.54 110.886 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.9 tt -57.64 -40.59 79.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.666 . . . . 71.41 110.886 -177.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.82 91.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.721 -0.791 . . . . 53.05 112.861 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.28 -35.72 81.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.8 1.037 . . . . 71.31 113.8 -178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.59 96.9 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.818 -0.753 . . . . 71.01 112.75 -176.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.58 -41.09 93.98 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.112 -0.635 . . . . 75.31 111.136 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.22 -42.15 94.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.189 0.811 . . . . 75.32 113.189 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.49 -38.03 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.439 . . . . 73.34 111.642 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -55.91 -39.79 72.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 30.55 110.838 -176.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.44 -38.25 83.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 73.25 112.509 178.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.29 83.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.644 0.979 . . . . 75.4 113.644 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -57.57 -39.15 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.828 -0.749 . . . . 75.44 111.209 -178.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.22 60.8 9.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.425 . . . . 70.24 111.425 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.57 -23.83 72.7 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.281 1.988 . . . . 74.14 111.744 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.037 -0.982 . . . . 61.53 110.679 -178.828 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.381 -0.6 . . . . 62.33 109.381 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.54 -39.9 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.208 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 3' ' ' ASP . 50.4 p30 -152.36 167.17 29.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.915 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 4' ' ' ASN . 28.9 p30 -88.55 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.66 . . . . 74.53 111.787 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -58.69 -35.36 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.515 -0.474 . . . . 65.43 111.079 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.35 132.2 53.4 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.671 -0.24 . . . . 73.01 110.733 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -144.86 169.76 17.43 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.048 0.451 . . . . 63.22 110.62 177.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -59.09 -37.27 76.72 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.607 -0.437 . . . . 72.4 111.341 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.47 -34.94 78.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.496 -0.482 . . . . 72.23 111.52 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -58.3 -38.37 76.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.883 -0.727 . . . . 74.4 109.981 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.54 -36.75 76.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.496 -0.882 . . . . 62.12 110.073 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -38.2 75.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.869 -0.605 . . . . 72.1 111.098 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.93 85.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.581 -0.448 . . . . 71.52 111.504 -178.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.58 -46.52 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.879 -0.728 . . . . 74.13 111.321 -179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -61.85 -39.25 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 114.554 1.316 . . . . 74.33 114.554 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -35.65 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.219 -0.993 . . . . 74.21 112.315 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.82 -41.86 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.046 -1.062 . . . . 74.12 108.572 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.48 -36.52 82.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.783 -0.644 . . . . 73.55 110.879 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -59.39 -44.04 92.86 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.62 0.97 . . . . 65.23 113.62 -177.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 25.2 mt -34.79 88.39 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 123.268 0.355 . . . . 54.01 111.721 -177.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' HIS . 56.4 Cg_endo -65.42 -37.64 29.47 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 CA-C-N 120.02 1.043 . . . . 52.01 113.268 -177.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 86.3 m-20 -59.36 -35.29 73.62 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.039 0.755 . . . . 64.41 113.039 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 53' ' ' ASN . 5.5 mp -95.73 142.24 28.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.794 0.664 . . . . 72.44 112.794 -177.108 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.04 172.56 13.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.471 -0.786 . . . . 54.45 109.213 178.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.55 -33.98 74.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.965 1.098 . . . . 70.01 113.965 -177.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.13 -37.9 89.05 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 118.608 -1.237 . . . . 73.0 113.296 -177.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.73 -37.48 84.4 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.088 -1.045 . . . . 64.43 110.39 178.165 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.08 -37.05 78.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.068 -0.969 . . . . 71.02 111.557 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -38.46 73.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.223 -0.591 . . . . 75.34 110.581 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.26 92.57 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.171 -1.49 . . . . 73.22 111.659 -178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -63.7 -41.48 98.11 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 119.769 -0.772 . . . . 74.33 112.643 178.051 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.78 -43.43 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.135 -0.626 . . . . 53.33 112.337 -178.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.82 -39.25 88.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 119.405 -0.918 . . . . 62.52 110.636 -177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -61.73 -37.99 86.27 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.296 0.569 . . . . 73.44 110.714 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.66 -39.36 88.06 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.394 -0.821 . . . . 61.32 110.902 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.64 -41.15 89.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.951 -0.7 . . . . 73.11 111.555 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.01 -41.36 91.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.29 -0.564 . . . . 73.02 112.483 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 33.7 p-10 -135.58 75.68 56.62 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-O 118.879 -0.582 . . . . 75.33 111.171 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.13 -30.87 91.79 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 CA-C-N 121.068 1.417 . . . . 64.23 113.095 -178.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -63.97 -31.1 72.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.169 -0.613 . . . . 51.14 111.281 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -89.21 11.39 18.91 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.085 0.772 . . . . 73.4 113.085 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -57.84 -30.0 65.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.061 -1.056 . . . . 32.1 109.405 -177.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.14 96.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 119.248 -0.981 . . . . 65.21 110.314 177.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.09 85.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.265 0.555 . . . . 74.23 110.978 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.97 -36.0 82.53 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.288 -0.869 . . . . 63.54 111.318 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.41 -39.46 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.327 -0.851 . . . . 71.41 111.864 -177.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.34 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.568 -0.853 . . . . 53.05 112.272 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.97 -35.83 82.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 113.36 0.874 . . . . 71.31 113.36 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.0 95.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 119.879 -0.728 . . . . 71.01 112.375 -177.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.39 -40.03 89.44 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.305 -0.558 . . . . 75.31 111.061 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.02 -42.88 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.183 0.809 . . . . 75.32 113.183 -177.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.3 -38.52 89.7 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.971 -0.692 . . . . 73.34 111.042 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.658 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t-20 -57.0 -39.85 75.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 30.55 112.263 -178.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.1 -39.69 83.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.709 0.633 . . . . 73.25 112.709 -178.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.03 89.32 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.749 -0.781 . . . . 75.4 112.572 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 22' ' ' ASN . 61.6 tt0 -61.05 -37.75 83.74 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.348 -0.541 . . . . 75.44 111.198 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -67.87 147.37 98.53 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.436 -0.802 . . . . 70.24 111.067 -178.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.4 -23.09 61.89 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.683 1.589 . . . . 74.14 110.688 179.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.6 pttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.956 -1.021 . . . . 61.53 110.747 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.305 -0.628 . . . . 62.33 109.305 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 4' ' ' ASN . 42.9 t -116.79 134.7 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.25 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.37 -37.56 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.884 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' H ' HG12 ' A' ' 2' ' ' VAL . 77.8 m-20 58.75 43.42 18.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.458 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.35 -35.84 72.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.391 . . . . 65.43 111.309 -179.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -110.01 136.48 49.2 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.91 0.385 . . . . 73.01 111.195 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -108.06 139.83 42.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.946 -0.57 . . . . 63.22 109.86 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -57.31 -38.02 73.37 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.224 -0.59 . . . . 72.4 109.74 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.56 -33.97 76.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 72.23 110.71 178.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.09 -38.42 73.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.322 -0.399 . . . . 74.4 111.769 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.11 -37.02 76.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.378 -0.929 . . . . 62.12 110.004 -179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -38.03 74.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.727 -0.67 . . . . 72.1 109.992 178.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.6 80.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.307 -0.86 . . . . 71.52 112.076 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.36 -45.07 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.606 -0.837 . . . . 74.13 109.92 -179.415 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -60.09 -37.11 78.99 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.316 0.858 . . . . 74.33 113.316 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.41 -36.09 81.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.642 -0.823 . . . . 74.21 111.64 -177.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.99 -44.33 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 119.499 -0.88 . . . . 74.12 110.371 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.6 mp -64.32 -36.14 83.14 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.046 0.387 . . . . 73.55 112.046 178.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.2 t60 -58.62 -45.21 89.68 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 114.374 1.25 . . . . 65.23 114.374 -176.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 23' ' ' LEU . 9.3 mt -36.86 90.08 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 119.354 -0.355 . . . . 54.01 111.709 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.3 Cg_endo -66.19 -37.33 25.26 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 CA-C-N 120.22 1.114 . . . . 52.01 113.028 -177.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HB2' HD12 ' A' ' 23' ' ' LEU . 85.2 m-20 -59.19 -34.26 71.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.943 -1.026 . . . . 64.41 113.043 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.7 mp -94.14 142.94 26.82 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.402 0.89 . . . . 72.44 113.402 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.585 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -82.65 171.52 13.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.402 -0.817 . . . . 54.45 109.902 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.13 -34.91 70.75 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.274 1.212 . . . . 70.01 114.274 -177.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.36 -37.41 85.56 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 118.609 -1.236 . . . . 73.0 112.329 -177.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HG3' HD21 ' A' ' 24' ' ' ASN . 63.0 mt-30 -61.48 -36.06 79.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.816 -0.754 . . . . 64.43 111.058 177.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.51 -38.76 78.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.069 -0.652 . . . . 71.02 110.784 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -58.63 -36.26 73.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.248 -0.581 . . . . 75.34 112.322 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.15 -42.6 93.32 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 117.93 -2.081 . . . . 73.22 110.634 -179.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -67.52 -43.81 79.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.163 0.801 . . . . 74.33 113.163 178.064 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.11 -46.2 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.869 0.692 . . . . 53.33 112.869 -177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.38 -38.8 88.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.066 -1.054 . . . . 62.52 110.626 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -60.86 -37.55 82.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.67 -0.695 . . . . 73.44 111.304 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.56 -39.22 83.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.748 -0.66 . . . . 61.32 111.045 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.28 -38.85 84.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.807 -0.757 . . . . 73.11 111.295 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -60.34 -41.59 93.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 119.909 -0.717 . . . . 73.02 112.277 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -136.21 75.2 53.7 Favored Pre-proline 0 N--CA 1.472 0.641 0 CA-C-O 118.689 -0.672 . . . . 75.33 111.075 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.37 -31.43 93.91 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 CA-C-N 121.296 1.499 . . . . 64.23 112.889 -178.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.3 p -64.04 -30.76 71.8 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.32 -0.552 . . . . 51.14 111.006 179.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.4 10.19 20.85 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.369 -0.832 . . . . 73.4 113.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.49 -30.12 66.76 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.07 -1.052 . . . . 32.1 109.409 -178.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.72 96.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 119.101 -1.039 . . . . 65.21 109.739 177.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.03 -38.5 82.91 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.92 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.18 -35.92 81.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.491 -0.777 . . . . 63.54 110.937 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.52 -40.03 81.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 71.41 111.068 -177.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.72 92.63 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.961 -0.696 . . . . 53.05 112.034 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.9 -35.51 81.39 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.738 0.644 . . . . 71.31 112.738 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.76 94.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.302 0.852 . . . . 71.01 113.302 -177.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.44 -41.95 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.543 -0.863 . . . . 75.31 111.579 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.97 -38.7 86.86 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.586 0.587 . . . . 75.32 112.586 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.58 -38.11 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.304 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' HD11 ' A' ' 23' ' ' LEU . 20.1 t-20 -56.3 -39.76 73.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.344 0.498 . . . . 30.55 112.344 -178.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 57' ' ' ALA . 21.6 t70 -59.54 -39.94 85.59 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.225 -0.59 . . . . 73.25 112.188 -179.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.84 86.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.157 0.799 . . . . 75.4 113.157 -179.193 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -58.9 -37.41 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.386 -0.37 . . . . 75.44 111.848 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -122.39 162.7 36.55 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.597 -178.205 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.8 Cg_endo -57.17 -23.58 54.15 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.558 2.172 . . . . 74.14 111.513 179.326 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' OXT' ' OD1' ' A' ' 54' ' ' ASP . 26.5 tptp . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.995 -1.003 . . . . 61.53 109.975 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.493 -0.558 . . . . 62.33 109.493 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 m -69.96 -28.54 36.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 72.12 110.054 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.41 119.47 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.941 -0.572 . . . . 64.54 110.309 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -85.57 5.12 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 74.53 110.466 -179.095 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -73.9 138.72 44.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.333 -0.848 . . . . 65.43 110.813 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.51 139.46 40.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.129 -0.693 . . . . 73.01 109.129 -179.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -70.81 160.75 32.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.65 0.738 . . . . 63.22 112.017 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -58.74 -38.18 77.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.574 -0.739 . . . . 72.4 110.974 -178.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.55 -36.69 85.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 119.331 -0.948 . . . . 72.23 109.592 178.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.76 -37.21 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.584 -0.735 . . . . 74.4 111.707 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.98 -37.23 81.73 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.341 0.591 . . . . 62.12 110.151 179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -57.51 -39.28 76.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.339 -0.846 . . . . 72.1 111.016 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.74 88.33 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.612 -0.435 . . . . 71.52 111.785 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.62 -47.14 85.37 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.803 -1.159 . . . . 74.13 110.801 -178.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.936 0.717 . . . . 74.33 112.936 177.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.51 -35.94 82.13 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 119.919 -0.712 . . . . 74.21 112.387 -178.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 mm -61.47 -43.58 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 118.057 -1.457 . . . . 74.12 107.9 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.0 -37.13 85.97 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.658 -1.156 . . . . 73.55 112.167 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.3 t60 -60.17 -45.68 92.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.286 1.217 . . . . 65.23 114.286 -176.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 13.0 mt -36.02 87.85 0.04 OUTLIER Pre-proline 0 N--CA 1.479 1.014 0 N-CA-C 112.648 0.61 . . . . 54.01 112.648 -177.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 60.3 Cg_endo -67.3 -34.04 28.52 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.244 1.123 . . . . 52.01 111.777 -178.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.73 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 81.7 m-20 -58.74 -35.04 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.373 -1.285 . . . . 64.41 113.353 -178.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' O ' ' NH2' ' A' ' 28' ' ' ARG . 38.9 mt -94.72 143.73 26.2 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.36 0.504 . . . . 72.44 112.36 -176.181 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.597 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -77.85 173.14 12.44 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.286 -0.635 . . . . 54.45 109.286 178.776 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HA ' HH11 ' A' ' 28' ' ' ARG . 97.0 mt-10 -61.43 -34.77 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.664 1.357 . . . . 70.01 114.664 -176.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.5 -37.61 87.97 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 118.881 -1.128 . . . . 73.0 113.056 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 24' ' ' ASN . 61.2 mt-30 -61.77 -37.53 84.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.94 -0.704 . . . . 64.43 111.754 178.485 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.566 HH12 ' C ' ' A' ' 24' ' ' ASN . 69.1 mtt85 -59.86 -37.76 80.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.204 -0.598 . . . . 71.02 111.614 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -38.54 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.087 -0.645 . . . . 75.34 110.886 179.584 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.65 -41.75 93.88 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 119.571 -1.3 . . . . 73.22 112.417 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.62 -40.57 97.23 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.008 0.904 . . . . 74.33 111.872 178.211 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.95 -45.04 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.515 -0.474 . . . . 53.33 111.668 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.69 -38.55 88.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.179 0.514 . . . . 62.52 111.453 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 m -60.67 -37.38 81.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 73.44 111.766 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.31 -39.83 84.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.301 -0.56 . . . . 61.32 110.845 -178.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.55 -41.73 95.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.401 -0.52 . . . . 73.11 112.231 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.497 0.925 . . . . 73.02 113.497 -177.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.54 78.55 13.09 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-O 119.137 -0.458 . . . . 75.33 111.45 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.69 -27.04 75.84 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 CA-C-N 121.199 1.464 . . . . 64.23 112.596 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -62.82 -30.77 71.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 51.14 111.943 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' OE1' ' ND2' ' A' ' 44' ' ' ASN . 96.1 mm-40 -88.42 10.06 21.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 73.4 111.955 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -58.21 -31.53 67.43 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.769 -0.772 . . . . 32.1 112.379 -175.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.48 94.6 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.108 -1.437 . . . . 65.21 109.547 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.55 ' ND2' ' OE1' ' A' ' 41' ' ' GLN . 84.8 m-20 -60.34 -38.72 84.67 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.444 -0.798 . . . . 74.23 111.98 179.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.4 -36.18 82.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.164 0.507 . . . . 63.54 111.093 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.32 -39.47 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.422 -0.808 . . . . 71.41 111.153 -177.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.46 91.05 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.893 -0.723 . . . . 53.05 112.089 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.76 -35.88 82.49 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.432 0.901 . . . . 71.31 113.432 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.28 95.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.398 -0.921 . . . . 71.01 112.357 -177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -61.13 -41.45 96.73 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.076 -0.649 . . . . 75.31 111.408 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -60.33 -42.1 94.92 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 113.046 0.758 . . . . 75.32 113.046 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.08 -39.24 89.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 119.97 -0.692 . . . . 73.34 110.858 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' ND2' ' A' ' 22' ' ' ASN . 21.4 t-20 -57.6 -41.1 80.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.911 -0.586 . . . . 30.55 111.56 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.53 -39.27 87.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.104 1.15 . . . . 73.25 114.104 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.65 -58.36 3.42 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 114.777 1.399 . . . . 75.4 114.777 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.76 -40.36 92.2 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.872 -0.731 . . . . 75.44 112.376 -178.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.73 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . . . -132.26 77.4 70.82 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 115.841 -0.618 . . . . 70.24 111.245 -179.064 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -55.04 141.2 79.74 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 C-N-CA 120.745 0.963 . . . . 74.14 111.127 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 61.53 110.656 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 23.1 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.332 -0.618 . . . . 62.33 109.332 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 89.9 t -60.95 -39.22 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 72.12 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 57.76 47.71 15.06 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.158 0.799 . . . . 64.54 113.158 179.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -54.21 -35.32 62.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.061 -0.348 . . . . 74.53 110.061 179.164 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -95.24 142.42 27.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.29 -0.414 . . . . 65.43 109.924 178.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.39 152.11 37.37 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.943 0.401 . . . . 73.01 110.947 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -103.58 125.19 49.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.324 -0.621 . . . . 63.22 109.324 178.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -57.42 -35.52 70.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.44 -0.504 . . . . 72.4 110.248 -178.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -35.1 78.66 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.162 -0.615 . . . . 72.23 110.794 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.59 -38.27 77.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.96 0.41 . . . . 74.4 110.549 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -56.87 -38.27 72.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 62.12 110.665 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.44 -39.02 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 72.1 111.092 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.61 84.43 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.459 -0.496 . . . . 71.52 111.831 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.77 -45.62 89.39 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.076 -0.65 . . . . 74.13 110.841 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -60.91 -37.73 83.29 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.145 0.794 . . . . 74.33 113.145 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.74 -36.17 82.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.654 -0.819 . . . . 74.21 111.12 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.16 -42.89 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 119.723 -0.791 . . . . 74.12 109.552 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.4 -36.87 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 73.55 111.83 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' PRO . 84.4 t60 -59.59 -44.7 93.27 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 116.077 1.88 . . . . 65.23 116.077 -175.221 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -34.04 87.31 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.365 0 N-CA-C 112.443 0.534 . . . . 54.01 112.443 -176.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' HIS . 59.1 Cg_endo -66.87 -37.8 19.03 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 CA-C-N 119.549 0.875 . . . . 52.01 113.258 -177.218 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' ND2' ' HB2' ' A' ' 57' ' ' ALA . 84.2 m-20 -59.11 -33.93 71.44 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.244 0.831 . . . . 64.41 113.244 -179.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.65 143.4 26.6 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.139 0.422 . . . . 72.44 112.139 -176.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.588 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.81 172.0 14.37 Favored 'General case' 0 C--O 1.23 0.072 0 N-CA-C 109.326 -0.62 . . . . 54.45 109.326 179.22 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' A' ' 28' ' ' ARG . 76.8 mm-40 -61.94 -34.87 76.89 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.144 1.164 . . . . 70.01 114.144 -177.232 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.9 -40.71 96.4 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 117.999 -1.48 . . . . 73.0 112.025 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.545 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.1 mt-30 -62.71 -37.16 85.39 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.959 -0.697 . . . . 64.43 110.879 177.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' OE1' ' A' ' 25' ' ' GLU . 40.7 ttm180 -57.44 -40.46 78.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.006 -0.997 . . . . 71.02 111.127 -178.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.77 -38.39 78.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.033 -0.53 . . . . 75.34 112.167 179.201 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.74 83.24 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 119.143 -1.503 . . . . 73.22 111.687 -177.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.6 -38.94 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.935 -0.706 . . . . 74.33 112.173 177.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -59.21 -43.49 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.193 -0.603 . . . . 53.33 111.43 -178.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.25 -38.64 87.43 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.403 -0.919 . . . . 62.52 110.554 -179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.4 m -60.6 -37.39 81.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.216 -0.902 . . . . 73.44 112.283 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.1 tp -58.92 -40.56 84.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.085 -0.646 . . . . 61.32 111.472 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -61.31 -39.21 89.64 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.993 -0.683 . . . . 73.11 112.439 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.01 -41.75 92.82 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.736 1.013 . . . . 73.02 113.736 -177.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.7 p30 -137.62 75.31 44.32 Favored Pre-proline 0 N--CA 1.471 0.62 0 CA-C-O 118.802 -0.618 . . . . 75.33 111.746 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.79 -32.06 93.89 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 CA-C-N 121.265 1.488 . . . . 64.23 112.843 -178.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 m -60.58 -37.08 80.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.434 0.635 . . . . 51.14 111.599 179.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB3' HD22 ' A' ' 44' ' ' ASN . 97.0 mt-30 -87.73 13.67 10.08 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.742 1.015 . . . . 73.4 113.742 -179.251 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -57.34 -29.83 64.32 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.152 -1.019 . . . . 32.1 110.04 -177.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.14 97.58 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 118.811 -1.156 . . . . 65.21 109.915 177.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' A' ' 41' ' ' GLN . 84.3 m-20 -60.25 -38.26 82.93 Favored 'General case' 0 N--CA 1.458 -0.064 0 CA-C-O 121.181 0.515 . . . . 74.23 110.915 178.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.78 -35.69 80.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.299 -0.864 . . . . 63.54 110.883 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.22 -39.87 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.159 -177.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.32 91.37 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 53.05 113.205 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -35.37 80.87 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 113.215 0.82 . . . . 71.31 113.215 -178.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.89 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.684 -0.806 . . . . 71.01 112.531 -177.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.96 -38.04 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.856 -0.738 . . . . 75.31 111.373 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -60.15 -43.17 95.96 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 112.659 0.615 . . . . 75.32 112.659 -178.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.48 -38.33 89.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.198 0.523 . . . . 73.34 110.904 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.65 -39.75 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.385 -0.825 . . . . 30.55 112.054 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.11 -39.81 83.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.769 0.655 . . . . 73.25 112.769 -178.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.1 89.25 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 119.68 -0.808 . . . . 75.4 112.269 -178.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.02 -37.85 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.223 0.535 . . . . 75.44 110.689 179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' ND2' ' A' ' 22' ' ' ASN . . . -68.82 148.16 97.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.312 -0.858 . . . . 70.24 111.052 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -22.52 56.46 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 121.577 1.518 . . . . 74.14 110.588 179.075 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HZ3' ' HB1' ' A' ' 57' ' ' ALA . 30.5 mtmm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.036 -0.983 . . . . 61.53 110.549 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.494 -0.558 . . . . 62.33 109.494 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.58 134.9 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 72.12 109.973 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -68.72 139.61 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 64.54 110.458 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -86.87 4.89 39.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 74.53 110.285 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -58.02 -37.13 73.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 65.43 111.461 -178.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -118.53 152.87 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.236 0.541 . . . . 73.01 111.937 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' OD1' ' OE1' ' A' ' 9' ' ' GLU . 45.1 t-20 -100.89 130.08 46.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.572 -1.27 . . . . 63.22 107.572 177.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -57.23 -36.95 71.54 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.658 -0.817 . . . . 72.4 111.451 -176.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE1' ' OD1' ' A' ' 7' ' ' ASN . 59.7 mp0 -64.31 -36.54 84.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 118.774 -1.17 . . . . 72.23 110.916 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.62 -37.22 80.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.78 -0.645 . . . . 74.4 112.5 179.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -55.55 -38.63 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 62.12 112.385 -176.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.41 -39.66 73.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.529 -0.868 . . . . 72.1 110.737 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.34 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 71.52 112.252 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.34 -45.81 90.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.454 -0.499 . . . . 74.13 111.378 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.85 -37.8 83.34 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.396 0.887 . . . . 74.33 113.396 178.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.6 -35.45 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.484 -0.886 . . . . 74.21 111.511 -178.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.24 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.391 -0.924 . . . . 74.12 109.112 178.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.31 -36.98 85.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.356 -0.838 . . . . 73.55 111.965 179.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.4 t60 -60.03 -44.93 94.31 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 114.973 1.471 . . . . 65.23 114.973 -176.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB3' HD13 ' A' ' 23' ' ' LEU . 12.6 mt -35.47 89.17 0.04 OUTLIER Pre-proline 0 N--CA 1.481 1.121 0 N-CA-C 112.638 0.607 . . . . 54.01 112.638 -177.315 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 56.9 Cg_endo -65.94 -36.13 32.03 Favored 'Trans proline' 0 N--CA 1.502 2.019 0 CA-C-N 120.029 1.046 . . . . 52.01 113.36 -177.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HB2' HD12 ' A' ' 23' ' ' LEU . 86.0 m-20 -58.53 -33.99 70.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.388 -0.824 . . . . 64.41 112.66 -179.282 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.9 mp -92.98 142.43 27.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.651 0.982 . . . . 72.44 113.651 -176.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.577 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -80.15 172.84 13.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.737 -1.12 . . . . 54.45 108.636 178.191 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.76 -34.66 76.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.947 1.092 . . . . 70.01 113.947 -177.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.43 -40.18 93.5 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.916 -1.114 . . . . 73.0 112.986 -177.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.528 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 62.2 mt-30 -62.36 -37.79 87.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.215 -0.994 . . . . 64.43 110.876 178.38 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.82 -37.38 79.02 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.254 -0.885 . . . . 71.02 110.506 -178.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.5 t-20 -57.85 -38.69 76.12 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.755 -0.657 . . . . 75.34 111.755 179.443 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.58 -41.54 89.33 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 118.96 -1.591 . . . . 73.22 111.392 -178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -64.34 -40.58 96.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 119.557 -0.857 . . . . 74.33 112.134 177.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.89 -47.11 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 119.832 -0.747 . . . . 53.33 111.83 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.8 mt-30 -62.3 -39.3 92.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.189 -0.605 . . . . 62.52 111.19 -178.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -61.57 -37.64 84.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.635 -0.711 . . . . 73.44 111.063 178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.28 -40.25 85.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.432 -0.804 . . . . 61.32 111.387 -178.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.89 -41.72 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.952 -0.699 . . . . 73.11 111.395 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.94 -40.9 95.03 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.401 0.889 . . . . 73.02 113.401 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -134.71 73.9 66.17 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-O 118.908 -0.568 . . . . 75.33 112.015 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 -31.78 95.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 CA-C-N 120.909 1.361 . . . . 64.23 112.509 -179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.1 p -64.22 -30.64 71.69 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.206 0.527 . . . . 51.14 111.554 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -88.32 11.23 17.24 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.481 -0.781 . . . . 73.4 113.032 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.0 p -58.06 -30.2 66.01 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.208 -0.997 . . . . 32.1 109.64 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.27 96.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 119.075 -1.05 . . . . 65.21 109.837 177.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.24 -38.79 84.53 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.883 -0.599 . . . . 74.23 111.023 179.158 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.57 -36.02 82.41 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.539 -0.755 . . . . 63.54 111.225 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.75 -40.54 84.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.747 -0.661 . . . . 71.41 111.243 -177.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.62 86.28 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.767 -0.773 . . . . 53.05 112.685 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -36.05 82.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 113.951 1.093 . . . . 71.31 113.951 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.13 96.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.744 -0.783 . . . . 71.01 112.951 -177.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.92 -41.93 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.851 -0.74 . . . . 75.31 111.9 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.78 -39.3 88.32 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 113.121 0.785 . . . . 75.32 113.121 -178.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.088 -0.645 . . . . 73.34 110.591 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.521 HD22 ' CD1' ' A' ' 23' ' ' LEU . 20.0 t-20 -57.03 -39.35 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.387 -0.824 . . . . 30.55 112.737 -178.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.26 -40.54 82.06 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.687 -0.805 . . . . 73.25 112.026 -178.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.11 88.75 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.875 -0.73 . . . . 75.4 110.91 179.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -35.09 76.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.986 -1.006 . . . . 75.44 111.429 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 151.8 94.09 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 70.24 110.846 -178.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.86 -22.51 30.2 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.13 1.22 . . . . 74.14 110.672 178.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.946 -1.026 . . . . 61.53 111.022 179.943 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.455 -0.572 . . . . 62.33 109.455 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 m -128.81 158.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.586 -0.734 . . . . 72.12 109.897 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 3' ' ' ASP . 50.4 p30 -149.16 170.73 17.76 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.298 0.571 . . . . 64.54 111.614 -179.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.552 ' C ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -86.91 9.18 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.25 -0.887 . . . . 74.53 110.824 -179.772 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.533 ' N ' HD22 ' A' ' 4' ' ' ASN . 63.0 tttm -57.02 -37.68 72.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.702 -0.681 . . . . 65.43 112.169 -178.01 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -102.14 127.78 48.92 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.768 0.655 . . . . 73.01 112.768 -179.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -120.26 132.17 55.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.789 -1.096 . . . . 63.22 108.244 176.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -57.2 -36.18 70.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.142 -1.023 . . . . 72.4 111.199 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.91 -34.52 74.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.839 -0.744 . . . . 72.23 110.041 178.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.558 HE21 ' CB ' ' A' ' 42' ' ' SER . 49.3 tt0 -56.85 -36.57 70.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.876 -0.602 . . . . 74.4 111.156 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -54.62 -38.35 66.71 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.011 -1.076 . . . . 62.12 110.496 -178.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -57.51 -37.28 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.226 -0.59 . . . . 72.1 110.738 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -62.04 -35.02 77.32 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.539 -0.464 . . . . 71.52 110.415 -178.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -58.06 -44.4 87.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.07 -38.98 84.48 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.024 1.12 . . . . 74.33 114.024 178.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.322 -0.951 . . . . 74.21 111.909 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.33 -43.02 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.571 -0.851 . . . . 74.12 109.522 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.26 -36.94 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.51 -0.768 . . . . 73.55 112.355 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.0 t60 -60.22 -45.08 94.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 114.433 1.272 . . . . 65.23 114.433 -177.112 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 20' ' ' LEU . 12.5 mt -36.11 89.2 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.194 0 N-CA-C 112.95 0.722 . . . . 54.01 112.95 -177.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 59.5 Cg_endo -66.98 -33.27 32.98 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 CA-C-N 120.358 1.164 . . . . 52.01 111.985 -178.806 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.615 HD22 ' ND2' ' A' ' 53' ' ' ASN . 82.8 m-20 -58.41 -34.7 71.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.671 -1.149 . . . . 64.41 112.357 -178.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 32.1 mt -94.05 143.74 26.09 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.557 0.577 . . . . 72.44 112.557 -176.221 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.617 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.1 OUTLIER -78.65 171.96 14.39 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.5 -0.926 . . . . 54.45 108.5 177.888 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.12 -35.0 77.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.651 1.352 . . . . 70.01 114.651 -177.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.43 -39.63 91.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 119.094 -1.043 . . . . 73.0 112.733 -177.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 60.3 mt-30 -61.81 -36.79 82.16 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.018 -0.673 . . . . 64.43 111.656 178.392 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.03 -38.05 78.39 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.935 -0.575 . . . . 71.02 110.668 -178.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 33' ' ' GLN . 19.9 t-20 -58.29 -38.4 76.96 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.932 -0.576 . . . . 75.34 111.839 178.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.62 82.2 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.086 -177.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -64.16 -40.15 95.52 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 119.216 -0.994 . . . . 74.33 112.38 177.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -46.55 91.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 120.196 -0.602 . . . . 53.33 112.399 -177.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 29' ' ' ASN . 90.0 mt-30 -61.98 -38.41 88.47 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.218 -0.593 . . . . 62.52 111.675 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.3 p -64.96 -30.53 71.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.851 -0.613 . . . . 73.44 111.378 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.43 -40.92 88.3 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.204 -0.599 . . . . 61.32 110.645 -178.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -61.74 -41.75 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 73.11 111.852 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.84 -41.33 91.16 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.059 1.133 . . . . 73.02 114.059 -177.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 52.9 p30 -135.23 74.46 61.8 Favored Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 118.88 -0.581 . . . . 75.33 111.712 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.02 -31.92 94.1 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 CA-C-N 120.963 1.38 . . . . 64.23 112.623 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -60.52 -37.55 81.52 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.294 0.569 . . . . 51.14 111.633 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -87.62 11.78 14.22 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.89 1.07 . . . . 73.4 113.89 -179.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.558 ' CB ' HE21 ' A' ' 10' ' ' GLN . 87.1 p -57.83 -30.19 65.56 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.168 -1.013 . . . . 32.1 110.241 -177.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.16 97.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 118.392 -1.323 . . . . 65.21 109.641 177.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.62 -38.8 85.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.844 -0.616 . . . . 74.23 111.588 179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.34 -37.42 87.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.059 -0.519 . . . . 63.54 111.666 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 13' ' ' ALA . 38.3 tp -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.228 -0.589 . . . . 71.41 111.485 -178.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.84 88.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.114 -0.634 . . . . 53.05 112.008 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.18 -35.44 80.8 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.387 0.884 . . . . 71.31 113.387 -178.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.647 -0.821 . . . . 71.01 112.722 -177.496 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.7 -41.59 95.5 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.879 -0.728 . . . . 75.31 111.874 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -60.8 -39.41 88.85 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.512 0.93 . . . . 75.32 113.512 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.57 -38.77 88.71 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 119.547 -0.861 . . . . 73.34 110.248 -179.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.615 ' ND2' HD22 ' A' ' 22' ' ' ASN . 21.1 t-20 -57.15 -40.33 77.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.469 -0.787 . . . . 30.55 111.933 -179.279 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.6 -40.37 91.53 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.415 1.265 . . . . 73.25 114.415 -178.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -50.5 52.32 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 119.26 -0.976 . . . . 75.4 112.595 -177.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 23' ' ' LEU . 94.2 mt-30 -62.59 -34.29 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 75.44 111.531 178.508 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' CB ' ' ND2' ' A' ' 22' ' ' ASN . . . -124.31 80.97 58.97 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 115.37 -0.832 . . . . 70.24 111.588 -177.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.03 -19.91 28.22 Favored 'Trans proline' 0 C--N 1.302 -1.9 0 C-N-CA 122.522 2.148 . . . . 74.14 112.298 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.947 -1.025 . . . . 61.53 110.608 -178.632 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.392 -0.596 . . . . 62.33 109.392 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -116.66 136.41 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.938 -0.574 . . . . 72.12 109.795 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -138.27 -179.2 5.65 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.968 0.413 . . . . 64.54 111.501 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 61.08 41.49 13.71 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 107.146 -1.427 . . . . 74.53 107.146 -176.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.95 -34.78 72.16 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.043 -1.889 . . . . 65.43 110.255 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -135.02 162.61 31.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.531 -0.759 . . . . 73.01 109.359 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -101.6 131.57 47.74 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.414 -0.587 . . . . 63.22 109.414 -179.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -56.31 -37.37 69.82 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.373 -0.531 . . . . 72.4 110.929 -177.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.78 -33.22 74.74 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.479 -0.888 . . . . 72.23 109.506 178.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -56.27 -37.18 69.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.491 -0.322 . . . . 74.4 110.599 -179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.79 -38.04 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.823 -0.751 . . . . 62.12 109.217 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -56.17 -38.15 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 72.1 110.28 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.28 82.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.995 -0.548 . . . . 71.52 111.664 -179.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.54 -45.41 88.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.035 -0.666 . . . . 74.13 110.452 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.82 -37.7 82.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.945 0.72 . . . . 74.33 112.945 178.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.64 -36.17 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.598 -0.841 . . . . 74.21 110.993 -178.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.17 -42.94 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 119.901 -0.719 . . . . 74.12 109.776 178.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.89 -37.54 87.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 73.55 112.146 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 84.1 t60 -60.36 -45.71 92.53 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 116.049 1.87 . . . . 65.23 116.049 -175.297 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' LEU . 4.2 mt -35.0 88.07 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.144 0 N-CA-C 112.88 0.696 . . . . 54.01 112.88 -176.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 19' ' ' HIS . 61.2 Cg_endo -67.3 -36.56 20.52 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 120.856 1.038 . . . . 52.01 113.455 -177.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.485 HD21 ' HB2' ' A' ' 57' ' ' ALA . 86.7 m-20 -58.7 -33.52 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.152 0.797 . . . . 64.41 113.152 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 20' ' ' LEU . 5.6 mp -90.75 142.9 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.209 0.448 . . . . 72.44 112.209 -177.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' C ' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -78.98 171.72 14.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.055 -0.721 . . . . 54.45 109.055 179.115 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.87 -34.87 76.79 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.11 1.152 . . . . 70.01 114.11 -177.369 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.8 -40.74 96.29 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 118.285 -1.366 . . . . 73.0 112.289 -177.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.588 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 64.7 mt-30 -62.52 -36.55 82.91 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 119.968 -0.693 . . . . 64.43 110.997 177.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.83 -40.45 76.08 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.203 -0.908 . . . . 71.02 110.393 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -58.84 -38.91 79.78 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.531 0.567 . . . . 75.34 112.531 178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.77 -41.16 90.4 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 119.167 -1.492 . . . . 73.22 112.469 -177.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.16 -40.86 97.03 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 119.635 -0.826 . . . . 74.33 112.953 178.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.29 -44.58 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.082 0 C-N-CA 120.053 -0.659 . . . . 53.33 111.974 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -61.57 -38.24 86.76 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.895 -0.722 . . . . 62.52 111.033 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -60.51 -36.41 78.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 73.44 111.019 179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.4 tp -57.93 -40.29 80.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.794 -0.639 . . . . 61.32 110.918 -178.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.06 -39.49 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.061 -0.656 . . . . 73.11 112.176 179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.92 -41.11 95.55 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.582 0.956 . . . . 73.02 113.582 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -135.36 74.93 59.79 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 118.863 -0.589 . . . . 75.33 111.413 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.81 -32.38 94.75 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 CA-C-N 121.092 1.426 . . . . 64.23 112.914 -178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -64.68 -30.69 71.71 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.138 0.494 . . . . 51.14 111.875 179.088 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.67 12.67 14.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.692 0.997 . . . . 73.4 113.692 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.3 p -57.53 -30.22 65.0 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 119.368 -0.933 . . . . 32.1 110.45 -177.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.02 96.89 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.729 -1.188 . . . . 65.21 109.818 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.28 -38.57 83.98 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.885 -0.598 . . . . 74.23 111.253 179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.31 -36.23 83.0 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.639 -0.709 . . . . 63.54 111.538 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.93 -40.2 83.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 71.41 110.997 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.39 89.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 114.254 1.205 . . . . 53.05 114.254 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.37 -36.86 85.28 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 113.522 0.934 . . . . 71.31 113.522 -177.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.79 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 119.547 -0.861 . . . . 71.01 111.824 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.48 -40.25 90.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.85 -0.613 . . . . 75.31 111.505 179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -59.86 -43.53 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.78 1.03 . . . . 75.32 113.78 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 23' ' ' LEU . 28.7 tp -63.14 -38.54 91.58 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.793 -0.763 . . . . 73.34 110.596 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.62 -39.41 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.979 -1.009 . . . . 30.55 112.552 -178.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -58.46 -39.66 80.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 73.25 112.792 -178.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.91 85.89 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.483 -0.887 . . . . 75.4 112.233 -179.032 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.35 -35.51 79.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.164 0.507 . . . . 75.44 111.723 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 22' ' ' ASN . . . -67.62 147.52 98.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.602 -0.726 . . . . 70.24 110.829 -178.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.88 -22.68 55.38 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.609 1.54 . . . . 74.14 110.689 179.396 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.992 -1.004 . . . . 61.53 110.62 179.966 . . . . . . . . 0 0 . 1 stop_ save_